0 B11R1.28 C#CCCNc1ccncn1 WXVL_AK3109LP3358 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.28 C#CCCNc1ccncn1 WXVL_AK3109LP3358 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.28 C#CCCNc1ncccn1 WXVL_AK3109LP0002 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.28 C#CCCNc1ncccn1 WXVL_AK3109LP0002 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.28 C=CCCNc1ccncn1 WXVL_AK00138LP3358 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.28 C=CCCNc1ccncn1 WXVL_AK00138LP3358 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.28 C=CCCNc1ncccn1 WXVL_AK00138LP0002 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.28 C=CCCNc1ncccn1 WXVL_AK00138LP0002 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.28 CCCCNc1ccncn1 WXVL_AK00588LP3358 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.28 CCCCNc1ccncn1 WXVL_AK00588LP3358 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.28 CCCCNc1ncccn1 WXVL_AK00588LP0002 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.28 CCCCNc1ncccn1 WXVL_AK00588LP0002 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.28 CSCCNc1ccncn1 WXVL_AK00440LP3358 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.28 CSCCNc1ccncn1 WXVL_AK00440LP3358 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.28 CSCCNc1ncccn1 WXVL_AK00440LP0002 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.28 CSCCNc1ncccn1 WXVL_AK00440LP0002 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.28 N#CCCNc1ccncn1 WXVL_AK0087LP3358 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.28 N#CCCNc1ccncn1 WXVL_AK0087LP3358 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.28 N#CCCNc1ncccn1 WXVL_AK0087LP0002 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.28 N#CCCNc1ncccn1 WXVL_AK0087LP0002 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.28 OCCCNc1ccncn1 WXVL_AK0073LP3358 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.28 OCCCNc1ccncn1 WXVL_AK0073LP3358 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.28 OCCCNc1ncccn1 WXVL_AK0073LP0002 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.28 OCCCNc1ncccn1 WXVL_AK0073LP0002 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.17 CCCNc1ccncn1 WXVL_AK00504LP3358 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.17 CCCNc1ncccn1 WXVL_AK00504LP0002 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.17 FCCNc1ccncn1 WXVL_AK00466LP3358 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.17 FCCNc1ccncn1 WXVL_AK00466LP3358 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 FCCNc1ncccn1 WXVL_AK00466LP0002 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.17 FCCNc1ncccn1 WXVL_AK00466LP0002 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.1 CCCCNc1ncc(cn1)Br WXVL_AK00588LQ1546 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.1 CCCCNc1ncc(cn1)Br WXVL_AK00588LQ1546 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.1 CCCCNc1ncc(cn1)C WXVL_AK00588LP0025 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.1 CCCCNc1ncc(cn1)C WXVL_AK00588LP0025 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.1 CCCCNc1ncc(cn1)F WXVL_AK00588LP0017 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.1 CCCCNc1ncc(cn1)F WXVL_AK00588LP0017 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.1 CCCCNc1ncc(cn1)I WXVL_AK00588LP3340 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.1 CCCCNc1ncc(cn1)I WXVL_AK00588LP3340 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.1 CSCCNc1ncc(cn1)Br WXVL_AK00440LQ1546 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.1 CSCCNc1ncc(cn1)Br WXVL_AK00440LQ1546 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.1 CSCCNc1ncc(cn1)C WXVL_AK00440LP0025 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.1 CSCCNc1ncc(cn1)C WXVL_AK00440LP0025 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.1 CSCCNc1ncc(cn1)F WXVL_AK00440LP0017 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.1 CSCCNc1ncc(cn1)F WXVL_AK00440LP0017 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.1 CSCCNc1ncc(cn1)I WXVL_AK00440LP3340 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.1 CSCCNc1ncc(cn1)I WXVL_AK00440LP3340 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.1 Cc1cnc(nc1)NCCCO WXVL_AK0073LP0025 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.1 Cc1cnc(nc1)NCCCO WXVL_AK0073LP0025 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.1 OCCCNc1ncc(cn1)Br WXVL_AK0073LQ1546 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.1 OCCCNc1ncc(cn1)Br WXVL_AK0073LQ1546 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.1 OCCCNc1ncc(cn1)F WXVL_AK0073LP0017 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.1 OCCCNc1ncc(cn1)F WXVL_AK0073LP0017 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.1 OCCCNc1ncc(cn1)I WXVL_AK0073LP3340 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.1 OCCCNc1ncc(cn1)I WXVL_AK0073LP3340 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.8 C#CCCCNc1ccncn1 WXVL_AK00218LP3358 [0,1,0,0,0,0|1,0,2]=4 57 B12R1.8 C#CCCCNc1ccncn1 WXVL_AK00218LP3358 [0,1,0,0,0,0|1,0,2]=4 58 B12R1.8 C#CCCCNc1ncccn1 WXVL_AK00218LP0002 [0,1,0,0,0,0|1,0,2]=4 59 B12R1.8 C#CCCCNc1ncccn1 WXVL_AK00218LP0002 [0,1,0,0,0,0|1,0,2]=4 60 B12R1.8 CCCCCNc1ccncn1 WXVL_AK0076LP3358 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.8 CCCCCNc1ccncn1 WXVL_AK0076LP3358 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.8 CCCCCNc1ncccn1 WXVL_AK0076LP0002 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.8 CCCCCNc1ncccn1 WXVL_AK0076LP0002 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.8 CCSCCNc1ccncn1 WXVL_AK00494LP3358 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.8 CCSCCNc1ccncn1 WXVL_AK00494LP3358 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.8 CCSCCNc1ncccn1 WXVL_AK00494LP0002 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.8 CCSCCNc1ncccn1 WXVL_AK00494LP0002 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.8 COCCCNc1ccncn1 WXVL_AK00637LP3358 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.8 COCCCNc1ccncn1 WXVL_AK00637LP3358 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.8 COCCCNc1ncccn1 WXVL_AK00637LP0002 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.8 COCCCNc1ncccn1 WXVL_AK00637LP0002 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.8 CSCCCNc1ccncn1 WXVL_AK0965LP3358 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.8 CSCCCNc1ccncn1 WXVL_AK0965LP3358 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.8 CSCCCNc1ncccn1 WXVL_AK0965LP0002 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.8 CSCCCNc1ncccn1 WXVL_AK0965LP0002 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.8 OCCCCNc1ccncn1 WXVL_AK0075LP3358 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.8 OCCCCNc1ccncn1 WXVL_AK0075LP3358 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.8 OCCCCNc1ncccn1 WXVL_AK0075LP0002 [0,1,0,0,0,0|2,0,0]=3 79 B12R1.8 OCCCCNc1ncccn1 WXVL_AK0075LP0002 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.27 CCC(=O)NCc1ccccc1 WXVL_AK00502SB0064 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.27 CCC(=O)NCc1ccccn1 WXVL_AK0018SB0064 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.27 CCC(=O)NCc1ccccn1 WXVL_AK0018SB0064 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.27 CCC(=O)NCc1ccncn1 WXVL_AK1356SB0064 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.27 CCC(=O)NCc1ccncn1 WXVL_AK1356SB0064 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.27 CCC(=O)NCc1cnccn1 WXVL_AK00262SB0064 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.27 CCC(=O)NCc1cnccn1 WXVL_AK00262SB0064 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.27 CCC(=O)NCc1ncccn1 WXVL_AK0279SB0064 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.27 CCC(=O)NCc1ncccn1 WXVL_AK0279SB0064 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.27 CNC(=O)CCc1ccccc1 WXVL_AK00442SB0067 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.27 CNC(=O)CCc1ccccn1 WXVL_AK00442SA0316 [0,1,0,0,0,0|1,0,1]=3 93 B12R1.27 CNC(=O)CCc1ccccn1 WXVL_AK00442SA0316 [0,1,0,0,0,0|1,0,1]=3 94 B12R1.27 CNC(=O)CCc1cnccn1 WXVL_AK00442SA2354 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.27 CNC(=O)CCc1cnccn1 WXVL_AK00442SA2354 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.27 CO[C@H](C)CNc1ccncn1 WXVL_AK00704LP3358 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.27 CO[C@H](C)CNc1ccncn1 WXVL_AK00704LP3358 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.27 CO[C@H](C)CNc1ncccn1 WXVL_AK00704LP0002 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.27 CO[C@H](C)CNc1ncccn1 WXVL_AK00704LP0002 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.27 O=C(CO)NCc1ccccn1 WXVL_AK0018SB2706 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.27 O=C(CO)NCc1ccccn1 WXVL_AK0018SB2706 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.27 OC[C@@H](O)CNc1ccncn1 WXVL_AK00483LP3358 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.27 OC[C@@H](O)CNc1ccncn1 WXVL_AK00483LP3358 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.27 OC[C@@H](O)CNc1ncccn1 WXVL_AK00483LP0002 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.27 OC[C@@H](O)CNc1ncccn1 WXVL_AK00483LP0002 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.27 OC[C@H](F)CNc1ccncn1 WXVL_AK00590LP3358 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.27 OC[C@H](F)CNc1ccncn1 WXVL_AK00590LP3358 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.27 OC[C@H](F)CNc1ncccn1 WXVL_AK00590LP0002 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.27 OC[C@H](F)CNc1ncccn1 WXVL_AK00590LP0002 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.28 CCCCNc1cc(ncn1)C WXVL_AK00588LP0109 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.28 CCCCNc1cc(ncn1)C WXVL_AK00588LP0109 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.28 CCCCNc1ccnc(n1)Br WXVL_AK00588LQ4646 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.28 CCCCNc1ccnc(n1)Br WXVL_AK00588LQ4646 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.28 CCCCNc1ccnc(n1)C WXVL_AK00588LP0556 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.28 CCCCNc1ccnc(n1)C WXVL_AK00588LP0556 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.28 CCCCNc1nccc(n1)Br WXVL_AK00588LQ3192 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.28 CCCCNc1nccc(n1)Br WXVL_AK00588LQ3192 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.28 CCCCNc1nccc(n1)C WXVL_AK00588LP0007 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.28 CCCCNc1nccc(n1)C WXVL_AK00588LP0007 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.28 CSCCNc1cc(ncn1)C WXVL_AK00440LP0109 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.28 CSCCNc1cc(ncn1)C WXVL_AK00440LP0109 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.28 CSCCNc1ccnc(n1)Br WXVL_AK00440LQ4646 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.28 CSCCNc1ccnc(n1)Br WXVL_AK00440LQ4646 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.28 CSCCNc1ccnc(n1)C WXVL_AK00440LP0556 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.28 CSCCNc1ccnc(n1)C WXVL_AK00440LP0556 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.28 CSCCNc1nccc(n1)Br WXVL_AK00440LQ3192 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.28 CSCCNc1nccc(n1)Br WXVL_AK00440LQ3192 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.28 CSCCNc1nccc(n1)C WXVL_AK00440LP0007 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.28 CSCCNc1nccc(n1)C WXVL_AK00440LP0007 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.28 Cc1cc(ncn1)NCCCO WXVL_AK0073LP0109 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.28 Cc1cc(ncn1)NCCCO WXVL_AK0073LP0109 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.28 Cc1ccnc(n1)NCCCO WXVL_AK0073LP0007 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.28 Cc1ccnc(n1)NCCCO WXVL_AK0073LP0007 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.28 Cc1nccc(n1)NCCCO WXVL_AK0073LP0556 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.28 Cc1nccc(n1)NCCCO WXVL_AK0073LP0556 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.28 OCCCNc1ccnc(n1)Br WXVL_AK0073LQ4646 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.28 OCCCNc1ccnc(n1)Br WXVL_AK0073LQ4646 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.28 OCCCNc1nccc(n1)Br WXVL_AK0073LQ3192 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.28 OCCCNc1nccc(n1)Br WXVL_AK0073LQ3192 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.30 CCCNC(=O)c1ccccc1 WXVL_AK00504SD0001 [0,1,0,0,0,0|2,0,1]=4 142 B12R1.30 CCCNC(=O)c1ccccn1 WXVL_AK00504SC0058 [0,1,0,0,0,0|1,0,1]=3 143 B12R1.30 CCCNC(=O)c1ccccn1 WXVL_AK00504SC0058 [0,1,0,0,0,0|1,0,1]=3 144 B12R1.30 CCCNC(=O)c1cccnn1 WXVL_AK00504SC0374 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.30 CCCNC(=O)c1cccnn1 WXVL_AK00504SC0374 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.30 CCCNC(=O)c1ccncn1 WXVL_AK00504SC0231 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.30 CCCNC(=O)c1ccncn1 WXVL_AK00504SC0231 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.30 CCCNC(=O)c1ncccn1 WXVL_AK00504SC0096 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.30 CCCNC(=O)c1ncccn1 WXVL_AK00504SC0096 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.30 COCCN(C)c1ccncn1 WXVL_AN0085LP3358 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.30 COCCN(C)c1ccncn1 WXVL_AN0085LP3358 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.30 COCCN(C)c1ncccn1 WXVL_AN0085LP0002 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.30 COCCN(C)c1ncccn1 WXVL_AN0085LP0002 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.30 O=C(NCCF)c1ccccn1 WXVL_AK00466SC0058 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.30 O=C(NCCF)c1ccccn1 WXVL_AK00466SC0058 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.32 CC(CCO)Nc1ccncn1 WXVL_AK1288LP3358 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.32 CC(CCO)Nc1ccncn1 WXVL_AK1288LP3358 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.32 CC(CCO)Nc1ncccn1 WXVL_AK1288LP0002 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.32 CC(CCO)Nc1ncccn1 WXVL_AK1288LP0002 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.32 CCCC(=O)Nc1ccccc1 WXVL_AG00183SB0073 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.32 CCCC(=O)Nc1ccccn1 WXVL_AF00298SB0073 [0,1,0,0,0,0|1,0,1]=3 163 B12R1.32 CCCC(=O)Nc1ccccn1 WXVL_AF00298SB0073 [0,1,0,0,0,0|1,0,1]=3 164 B12R1.32 CCCC(=O)Nc1cccnn1 WXVL_AF0151SB0073 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.32 CCCC(=O)Nc1cccnn1 WXVL_AF0151SB0073 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.32 CCCC(=O)Nc1ccncn1 WXVL_AF0139SB0073 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.32 CCCC(=O)Nc1ccncn1 WXVL_AF0139SB0073 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.32 CCCC(=O)Nc1cnccn1 WXVL_AF0120SB0073 [0,1,0,0,0,0|2,0,1]=4 169 B12R1.32 CCCC(=O)Nc1cnccn1 WXVL_AF0120SB0073 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.32 CCC[C@H](C)Nc1ccncn1 WXVL_AK00682LP3358 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.32 CCC[C@H](C)Nc1ccncn1 WXVL_AK00682LP3358 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.32 CCC[C@H](C)Nc1ncccn1 WXVL_AK00682LP0002 [0,1,0,0,0,0|2,0,0]=3 173 B12R1.32 CCC[C@H](C)Nc1ncccn1 WXVL_AK00682LP0002 [0,1,0,0,0,0|2,0,0]=3 174 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.32 CCNC(=O)Cc1ccccc1 WXVL_AK00476SB0092 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.32 CCNC(=O)Cc1ccccn1 WXVL_AK00476SA0032 [0,1,0,0,0,0|1,0,1]=3 177 B12R1.32 CCNC(=O)Cc1ccccn1 WXVL_AK00476SA0032 [0,1,0,0,0,0|1,0,1]=3 178 B12R1.32 CCNC(=O)Cc1ncccn1 WXVL_AK00476SA0307 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.32 CCNC(=O)Cc1ncccn1 WXVL_AK00476SA0307 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.32 CCNC(=O)Nc1ccccn1 WXVL_AK00476YV0189 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.32 CCNC(=O)Nc1ccccn1 WXVL_AK00476YV0189 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.32 COCC(=O)Nc1ccccn1 WXVL_AF00298SB0090 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.32 COCC(=O)Nc1ccccn1 WXVL_AF00298SB0090 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.32 COC[C@@H](C)Nc1ccncn1 WXVL_AK00613LP3358 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.32 COC[C@@H](C)Nc1ccncn1 WXVL_AK00613LP3358 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.32 COC[C@@H](C)Nc1ncccn1 WXVL_AK00613LP0002 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.32 COC[C@@H](C)Nc1ncccn1 WXVL_AK00613LP0002 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.32 COC[C@H](C)Nc1ccncn1 WXVL_AK0137LP3358 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.32 COC[C@H](C)Nc1ccncn1 WXVL_AK0137LP3358 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.32 COC[C@H](C)Nc1ncccn1 WXVL_AK0137LP0002 [0,1,0,0,0,0|3,0,0]=4 191 B12R1.32 COC[C@H](C)Nc1ncccn1 WXVL_AK0137LP0002 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.32 CSCC(=O)Nc1ccccn1 WXVL_AF00298SB1267 [0,1,0,0,0,0|2,0,1]=4 193 B12R1.32 CSCC(=O)Nc1ccccn1 WXVL_AF00298SB1267 [0,1,0,0,0,0|2,0,1]=4 194 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.252 CC(=O)NCCc1ccccc1 WXVL_AK00498SB0150 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.252 CC(=O)NCCc1ccccn1 WXVL_AK0019SB0150 [0,1,0,0,0,0|1,0,1]=3 197 B12R1.252 CC(=O)NCCc1ccccn1 WXVL_AK0019SB0150 [0,1,0,0,0,0|1,0,1]=3 198 B12R1.252 CC(=O)NCCc1ccncn1 WXVL_AK6509SB0150 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.252 CC(=O)NCCc1ccncn1 WXVL_AK6509SB0150 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.252 CC(C)CCNc1ccncn1 WXVL_AK0068LP3358 [0,1,0,0,0,0|2,0,0]=3 201 B12R1.252 CC(C)CCNc1ccncn1 WXVL_AK0068LP3358 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.252 CC(C)CCNc1ncccn1 WXVL_AK0068LP0002 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.252 CC(C)CCNc1ncccn1 WXVL_AK0068LP0002 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.252 CN(C)CCNc1ccncn1 WXVL_AK0058LP3358 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.252 CN(C)CCNc1ccncn1 WXVL_AK0058LP3358 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.252 CN(C)CCNc1ncccn1 WXVL_AK0058LP0002 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.252 CN(C)CCNc1ncccn1 WXVL_AK0058LP0002 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.252 NC(=O)CCCc1ccccc1 WXVL_AK0084SB0121 [0,1,0,0,0,0|2,0,1]=4 210 B12R1.267 CCCCNc1ncncc1Br WXVL_AK00588LQ2111 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.267 CCCCNc1ncncc1Br WXVL_AK00588LQ2111 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.267 CCCCNc1ncncc1C WXVL_AK00588LP0053 [0,1,0,0,0,0|2,0,0]=3 213 B12R1.267 CCCCNc1ncncc1C WXVL_AK00588LP0053 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.267 CCCCNc1ncncc1F WXVL_AK00588LP0435 [0,1,0,0,0,0|2,0,0]=3 215 B12R1.267 CCCCNc1ncncc1F WXVL_AK00588LP0435 [0,1,0,0,0,0|2,0,0]=3 216 B12R1.267 CCCCNc1ncncc1I WXVL_AK00588LP3348 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.267 CCCCNc1ncncc1I WXVL_AK00588LP3348 [0,1,0,0,0,0|2,0,0]=3 218 B12R1.267 CSCCNc1ncncc1Br WXVL_AK00440LQ2111 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.267 CSCCNc1ncncc1Br WXVL_AK00440LQ2111 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.267 CSCCNc1ncncc1C WXVL_AK00440LP0053 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.267 CSCCNc1ncncc1C WXVL_AK00440LP0053 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.267 CSCCNc1ncncc1F WXVL_AK00440LP0435 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.267 CSCCNc1ncncc1F WXVL_AK00440LP0435 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.267 CSCCNc1ncncc1I WXVL_AK00440LP3348 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.267 CSCCNc1ncncc1I WXVL_AK00440LP3348 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.267 Cc1cncnc1NCCCO WXVL_AK0073LP0053 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.267 Cc1cncnc1NCCCO WXVL_AK0073LP0053 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.267 OCCCNc1ncncc1Br WXVL_AK0073LQ2111 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.267 OCCCNc1ncncc1Br WXVL_AK0073LQ2111 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.267 OCCCNc1ncncc1F WXVL_AK0073LP0435 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.267 OCCCNc1ncncc1F WXVL_AK0073LP0435 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.267 OCCCNc1ncncc1I WXVL_AK0073LP3348 [0,1,0,0,0,0|3,0,0]=4 233 B12R1.267 OCCCNc1ncncc1I WXVL_AK0073LP3348 [0,1,0,0,0,0|3,0,0]=4 234 B12R2.2 c1cc(ncn1)N2CCCC2 WXVL_AN0008LP3358 [0,0,0,1,0,0|2,0,0]=3 235 B12R2.2 c1cc(ncn1)N2CCCC2 WXVL_AN0008LP3358 [0,0,0,1,0,0|2,0,0]=3 236 B12R2.2 c1cnc(nc1)N2CCCC2 WXVL_AN0008LP0002 [0,0,0,1,0,0|2,0,0]=3 237 B12R2.2 c1cnc(nc1)N2CCCC2 WXVL_AN0008LP0002 [0,0,0,1,0,0|2,0,0]=3 238 B12R2.2058 c1cc(ncn1)NC2CNC2 WXVL_AK1291LP3358 [0,0,0,1,0,0|3,0,0]=4 239 B12R2.2058 c1cc(ncn1)NC2CNC2 WXVL_AK1291LP3358 [0,0,0,1,0,0|3,0,0]=4 240 B12R2.2058 c1cc(ncn1)NC2CSC2 WXVL_AK2089LP3358 [0,0,0,1,0,0|3,0,0]=4 241 B12R2.2058 c1cc(ncn1)NC2CSC2 WXVL_AK2089LP3358 [0,0,0,1,0,0|3,0,0]=4 242 B12R2.2058 c1cnc(nc1)NC2CNC2 WXVL_AK1291LP0002 [0,0,0,1,0,0|3,0,0]=4 243 B12R2.2058 c1cnc(nc1)NC2CNC2 WXVL_AK1291LP0002 [0,0,0,1,0,0|3,0,0]=4 244 B12R2.2058 c1cnc(nc1)NC2CSC2 WXVL_AK2089LP0002 [0,0,0,1,0,0|3,0,0]=4 245 B12R2.2058 c1cnc(nc1)NC2CSC2 WXVL_AK2089LP0002 [0,0,0,1,0,0|3,0,0]=4 246 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.8 CCNc1ccncn1 WXVL_AK00476LP3358 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.8 CCNc1ncccn1 WXVL_AK00476LP0002 [2,0,0,0,0,0|2,0,0]=4 250 B11R0.140 C/C=C/C=C/C(=O)NCCCC WXVL_AK00588SB0348 [0,1,1,0,0,0|2,0,0]=4 251 B11R0.140 C/C=C/C=C/C(=O)NCCCC WXVL_AK00588SB0348 [0,1,1,0,0,0|2,0,0]=4 252 B11R1.1 CCCNc1ncc(cn1)Br WXVL_AK00504LQ1546 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.1 CCCNc1ncc(cn1)Br WXVL_AK00504LQ1546 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.1 CCCNc1ncc(cn1)C WXVL_AK00504LP0025 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.1 CCCNc1ncc(cn1)C WXVL_AK00504LP0025 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.1 CCCNc1ncc(cn1)F WXVL_AK00504LP0017 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.1 CCCNc1ncc(cn1)F WXVL_AK00504LP0017 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.1 CCCNc1ncc(cn1)I WXVL_AK00504LP3340 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.1 CCCNc1ncc(cn1)I WXVL_AK00504LP3340 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.17 CCCNc1ncncc1Br WXVL_AK00504LQ2111 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.17 CCCNc1ncncc1Br WXVL_AK00504LQ2111 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.17 CCCNc1ncncc1C WXVL_AK00504LP0053 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.17 CCCNc1ncncc1C WXVL_AK00504LP0053 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.17 CCCNc1ncncc1F WXVL_AK00504LP0435 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.17 CCCNc1ncncc1F WXVL_AK00504LP0435 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.17 CCCNc1ncncc1I WXVL_AK00504LP3348 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.17 CCCNc1ncncc1I WXVL_AK00504LP3348 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.24 CCCNc1cc(ncn1)C WXVL_AK00504LP0109 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.24 CCCNc1cc(ncn1)C WXVL_AK00504LP0109 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.24 CCCNc1ccnc(n1)Br WXVL_AK00504LQ4646 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.24 CCCNc1ccnc(n1)Br WXVL_AK00504LQ4646 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.24 CCCNc1ccnc(n1)C WXVL_AK00504LP0556 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.24 CCCNc1ccnc(n1)C WXVL_AK00504LP0556 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.24 CCCNc1nccc(n1)Br WXVL_AK00504LQ3192 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.24 CCCNc1nccc(n1)Br WXVL_AK00504LQ3192 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.24 CCCNc1nccc(n1)C WXVL_AK00504LP0007 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.24 CCCNc1nccc(n1)C WXVL_AK00504LP0007 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.40 CCC(=O)Nc1ccccn1 WXVL_AF00298SB0064 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.40 CCC(=O)Nc1ccccn1 WXVL_AF00298SB0064 [1,1,0,0,0,0|1,0,1]=4 282 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [1,1,0,0,0,0|2,0,0]=4 283 B11R1.40 CC[C@H](C)Nc1ccncn1 WXVL_AK00678LP3358 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.40 CC[C@H](C)Nc1ncccn1 WXVL_AK00678LP0002 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.91 CC(=O)NCc1ccccn1 WXVL_AK0018SB0150 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.91 CC(C)CNc1ccncn1 WXVL_AK00544LP3358 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.91 CC(C)CNc1ccncn1 WXVL_AK00544LP3358 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.91 CC(C)CNc1ncccn1 WXVL_AK00544LP0002 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.91 CC(C)CNc1ncccn1 WXVL_AK00544LP0002 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.91 CC(O)CNc1ccncn1 WXVL_AK0052LP3358 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.91 CC(O)CNc1ccncn1 WXVL_AK0052LP3358 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.91 CC(O)CNc1ncccn1 WXVL_AK0052LP0002 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.91 CC(O)CNc1ncccn1 WXVL_AK0052LP0002 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.91 C[C@H](O)CNc1ccncn1 WXVL_AK0113LP3358 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.91 C[C@H](O)CNc1ccncn1 WXVL_AK0113LP3358 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.91 C[C@H](O)CNc1ncccn1 WXVL_AK0113LP0002 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.91 C[C@H](O)CNc1ncccn1 WXVL_AK0113LP0002 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.91 NC(=O)CCc1ccccn1 WXVL_AK0084SA0316 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.91 NC(=O)CCc1ccccn1 WXVL_AK0084SA0316 [1,1,0,0,0,0|1,0,1]=4 304 B13R1.9 CCCCCNc1ncc(cn1)Br WXVL_AK0076LQ1546 [0,2,0,0,0,0|1,0,0]=3 305 B13R1.9 CCCCCNc1ncc(cn1)Br WXVL_AK0076LQ1546 [0,2,0,0,0,0|1,0,0]=3 306 B13R1.9 CCCCCNc1ncc(cn1)C WXVL_AK0076LP0025 [0,2,0,0,0,0|1,0,0]=3 307 B13R1.9 CCCCCNc1ncc(cn1)C WXVL_AK0076LP0025 [0,2,0,0,0,0|1,0,0]=3 308 B13R1.9 CCCCCNc1ncc(cn1)F WXVL_AK0076LP0017 [0,2,0,0,0,0|1,0,0]=3 309 B13R1.9 CCCCCNc1ncc(cn1)F WXVL_AK0076LP0017 [0,2,0,0,0,0|1,0,0]=3 310 B13R1.9 CCCCCNc1ncc(cn1)I WXVL_AK0076LP3340 [0,2,0,0,0,0|1,0,0]=3 311 B13R1.9 CCCCCNc1ncc(cn1)I WXVL_AK0076LP3340 [0,2,0,0,0,0|1,0,0]=3 312 B13R1.9 CCSCCNc1ncc(cn1)Br WXVL_AK00494LQ1546 [0,2,0,0,0,0|2,0,0]=4 313 B13R1.9 CCSCCNc1ncc(cn1)Br WXVL_AK00494LQ1546 [0,2,0,0,0,0|2,0,0]=4 314 B13R1.9 CCSCCNc1ncc(cn1)C WXVL_AK00494LP0025 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.9 CCSCCNc1ncc(cn1)C WXVL_AK00494LP0025 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.9 CCSCCNc1ncc(cn1)F WXVL_AK00494LP0017 [0,2,0,0,0,0|2,0,0]=4 317 B13R1.9 CCSCCNc1ncc(cn1)F WXVL_AK00494LP0017 [0,2,0,0,0,0|2,0,0]=4 318 B13R1.9 CCSCCNc1ncc(cn1)I WXVL_AK00494LP3340 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.9 CCSCCNc1ncc(cn1)I WXVL_AK00494LP3340 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.9 COCCCNc1ncc(cn1)Br WXVL_AK00637LQ1546 [0,2,0,0,0,0|2,0,0]=4 321 B13R1.9 COCCCNc1ncc(cn1)Br WXVL_AK00637LQ1546 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.9 COCCCNc1ncc(cn1)C WXVL_AK00637LP0025 [0,2,0,0,0,0|2,0,0]=4 323 B13R1.9 COCCCNc1ncc(cn1)C WXVL_AK00637LP0025 [0,2,0,0,0,0|2,0,0]=4 324 B13R1.9 COCCCNc1ncc(cn1)F WXVL_AK00637LP0017 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.9 COCCCNc1ncc(cn1)F WXVL_AK00637LP0017 [0,2,0,0,0,0|2,0,0]=4 326 B13R1.9 COCCCNc1ncc(cn1)I WXVL_AK00637LP3340 [0,2,0,0,0,0|2,0,0]=4 327 B13R1.9 COCCCNc1ncc(cn1)I WXVL_AK00637LP3340 [0,2,0,0,0,0|2,0,0]=4 328 B13R1.9 CSCCCNc1ncc(cn1)Br WXVL_AK0965LQ1546 [0,2,0,0,0,0|2,0,0]=4 329 B13R1.9 CSCCCNc1ncc(cn1)Br WXVL_AK0965LQ1546 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.9 CSCCCNc1ncc(cn1)C WXVL_AK0965LP0025 [0,2,0,0,0,0|2,0,0]=4 331 B13R1.9 CSCCCNc1ncc(cn1)C WXVL_AK0965LP0025 [0,2,0,0,0,0|2,0,0]=4 332 B13R1.9 CSCCCNc1ncc(cn1)F WXVL_AK0965LP0017 [0,2,0,0,0,0|2,0,0]=4 333 B13R1.9 CSCCCNc1ncc(cn1)F WXVL_AK0965LP0017 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.9 CSCCCNc1ncc(cn1)I WXVL_AK0965LP3340 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.9 CSCCCNc1ncc(cn1)I WXVL_AK0965LP3340 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.9 Cc1cnc(nc1)NCCCCO WXVL_AK0075LP0025 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.9 Cc1cnc(nc1)NCCCCO WXVL_AK0075LP0025 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.9 OCCCCNc1ncc(cn1)Br WXVL_AK0075LQ1546 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.9 OCCCCNc1ncc(cn1)Br WXVL_AK0075LQ1546 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.9 OCCCCNc1ncc(cn1)F WXVL_AK0075LP0017 [0,2,0,0,0,0|2,0,0]=4 341 B13R1.9 OCCCCNc1ncc(cn1)F WXVL_AK0075LP0017 [0,2,0,0,0,0|2,0,0]=4 342 B13R1.9 OCCCCNc1ncc(cn1)I WXVL_AK0075LP3340 [0,2,0,0,0,0|2,0,0]=4 343 B13R1.9 OCCCCNc1ncc(cn1)I WXVL_AK0075LP3340 [0,2,0,0,0,0|2,0,0]=4 344 B13R1.14 CCC(=O)NCc1ccc(cn1)Br WXVL_AK00267SB0064 [0,2,0,0,0,0|1,0,1]=4 345 B13R1.14 CCC(=O)NCc1ccc(cn1)Br WXVL_AK00267SB0064 [0,2,0,0,0,0|1,0,1]=4 346 B13R1.14 CCC(=O)NCc1ccc(cn1)C WXVL_AK0577SB0064 [0,2,0,0,0,0|1,0,1]=4 347 B13R1.14 CCC(=O)NCc1ccc(cn1)C WXVL_AK0577SB0064 [0,2,0,0,0,0|1,0,1]=4 348 B13R1.14 CCC(=O)NCc1ccc(cn1)Cl WXVL_AK2138SB0064 [0,2,0,0,0,0|1,0,1]=4 349 B13R1.14 CCC(=O)NCc1ccc(cn1)Cl WXVL_AK2138SB0064 [0,2,0,0,0,0|1,0,1]=4 350 B13R1.14 CCC(=O)NCc1ccc(cn1)F WXVL_AK2932SB0064 [0,2,0,0,0,0|1,0,1]=4 351 B13R1.14 CCC(=O)NCc1ccc(cn1)F WXVL_AK2932SB0064 [0,2,0,0,0,0|1,0,1]=4 352 B13R1.14 CNC(=O)CCc1ccc(cn1)C WXVL_AK00442SA0125 [0,2,0,0,0,0|1,0,1]=4 353 B13R1.14 CNC(=O)CCc1ccc(cn1)C WXVL_AK00442SA0125 [0,2,0,0,0,0|1,0,1]=4 354 B13R1.17 CCCNC(=O)c1ccc(cn1)Br WXVL_AK00504SC0363 [0,2,0,0,0,0|1,0,1]=4 355 B13R1.17 CCCNC(=O)c1ccc(cn1)Br WXVL_AK00504SC0363 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.17 CCCNC(=O)c1ccc(cn1)C WXVL_AK00504SC0104 [0,2,0,0,0,0|1,0,1]=4 357 B13R1.17 CCCNC(=O)c1ccc(cn1)C WXVL_AK00504SC0104 [0,2,0,0,0,0|1,0,1]=4 358 B13R1.17 CCCNC(=O)c1ccc(cn1)Cl WXVL_AK00504SC0381 [0,2,0,0,0,0|1,0,1]=4 359 B13R1.17 CCCNC(=O)c1ccc(cn1)Cl WXVL_AK00504SC0381 [0,2,0,0,0,0|1,0,1]=4 360 B13R1.17 CCCNC(=O)c1ccc(cn1)F WXVL_AK00504SC0114 [0,2,0,0,0,0|1,0,1]=4 361 B13R1.17 CCCNC(=O)c1ccc(cn1)F WXVL_AK00504SC0114 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.17 CCCNC(=O)c1ccc(cn1)O WXVL_AK00504SC0130 [0,2,0,0,0,0|1,0,1]=4 363 B13R1.17 CCCNC(=O)c1ccc(cn1)O WXVL_AK00504SC0130 [0,2,0,0,0,0|1,0,1]=4 364 B13R1.19 CCCC(=O)Nc1ccc(cn1)C WXVL_AF0018SB0073 [0,2,0,0,0,0|1,0,1]=4 365 B13R1.19 CCCC(=O)Nc1ccc(cn1)C WXVL_AF0018SB0073 [0,2,0,0,0,0|1,0,1]=4 366 B13R1.19 CCCC(=O)Nc1ccc(cn1)Cl WXVL_AF0017SB0073 [0,2,0,0,0,0|1,0,1]=4 367 B13R1.19 CCCC(=O)Nc1ccc(cn1)Cl WXVL_AF0017SB0073 [0,2,0,0,0,0|1,0,1]=4 368 B13R1.19 CCCC(=O)Nc1ccc(cn1)O WXVL_AF3250SB0073 [0,2,0,0,0,0|1,0,1]=4 369 B13R1.19 CCCC(=O)Nc1ccc(cn1)O WXVL_AF3250SB0073 [0,2,0,0,0,0|1,0,1]=4 370 B13R1.19 CCC[C@H](C)Nc1ncc(cn1)Br WXVL_AK00682LQ1546 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.19 CCC[C@H](C)Nc1ncc(cn1)Br WXVL_AK00682LQ1546 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.19 CCC[C@H](C)Nc1ncc(cn1)C WXVL_AK00682LP0025 [0,2,0,0,0,0|2,0,0]=4 373 B13R1.19 CCC[C@H](C)Nc1ncc(cn1)C WXVL_AK00682LP0025 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.19 CCC[C@H](C)Nc1ncc(cn1)F WXVL_AK00682LP0017 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.19 CCC[C@H](C)Nc1ncc(cn1)F WXVL_AK00682LP0017 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.19 CCC[C@H](C)Nc1ncc(cn1)I WXVL_AK00682LP3340 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.19 CCC[C@H](C)Nc1ncc(cn1)I WXVL_AK00682LP3340 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.19 CCNC(=O)Cc1ccc(cn1)Br WXVL_AK00476SA0212 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.19 CCNC(=O)Cc1ccc(cn1)Br WXVL_AK00476SA0212 [0,2,0,0,0,0|1,0,1]=4 380 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl WXVL_AK00476SA0537 [0,2,0,0,0,0|1,0,1]=4 381 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl WXVL_AK00476SA0537 [0,2,0,0,0,0|1,0,1]=4 382 B13R1.19 CCNC(=O)Cc1ccc(cn1)F WXVL_AK00476SA0011 [0,2,0,0,0,0|1,0,1]=4 383 B13R1.19 CCNC(=O)Cc1ccc(cn1)F WXVL_AK00476SA0011 [0,2,0,0,0,0|1,0,1]=4 384 B13R1.19 CCNC(=O)Cc1ccc(cn1)O WXVL_AK00476SA2976 [0,2,0,0,0,0|1,0,1]=4 385 B13R1.19 CCNC(=O)Cc1ccc(cn1)O WXVL_AK00476SA2976 [0,2,0,0,0,0|1,0,1]=4 386 B13R1.371 CCCCNc1ncc(cn1)CC WXVL_AK00588LP0202 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.371 CCCCNc1ncc(cn1)CC WXVL_AK00588LP0202 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.371 CCCCNc1ncc(cn1)OC WXVL_AK00588LP0195 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.371 CCCCNc1ncc(cn1)OC WXVL_AK00588LP0195 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.371 CCCCNc1ncc(cn1)SC WXVL_AK00588LP1533 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.371 CCCCNc1ncc(cn1)SC WXVL_AK00588LP1533 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.513 CC(C)CCNc1ncc(cn1)Br WXVL_AK0068LQ1546 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.513 CC(C)CCNc1ncc(cn1)Br WXVL_AK0068LQ1546 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.513 CC(C)CCNc1ncc(cn1)F WXVL_AK0068LP0017 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.513 CC(C)CCNc1ncc(cn1)F WXVL_AK0068LP0017 [0,2,0,0,0,0|2,0,0]=4 396 B13R1.513 CC(C)CCNc1ncc(cn1)I WXVL_AK0068LP3340 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.513 CC(C)CCNc1ncc(cn1)I WXVL_AK0068LP3340 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.513 Cc1cnc(nc1)NCCC(C)C WXVL_AK0068LP0025 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.513 Cc1cnc(nc1)NCCC(C)C WXVL_AK0068LP0025 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.669 CCCCNc1ncc(c(n1)C)Br WXVL_AK00588LQ2229 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.669 CCCCNc1ncc(c(n1)C)Br WXVL_AK00588LQ2229 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.669 CCCCNc1ncc(c(n1)C)C WXVL_AK00588LP2969 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.669 CCCCNc1ncc(c(n1)C)C WXVL_AK00588LP2969 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.669 CCCCNc1ncc(c(n1)C)F WXVL_AK00588LP0995 [0,2,0,0,0,0|2,0,0]=4 405 B13R1.669 CCCCNc1ncc(c(n1)C)F WXVL_AK00588LP0995 [0,2,0,0,0,0|2,0,0]=4 406 B13R1.6 CCCCCNc1cc(ncn1)C WXVL_AK0076LP0109 [0,2,0,0,0,0|1,0,0]=3 407 B13R1.6 CCCCCNc1cc(ncn1)C WXVL_AK0076LP0109 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.6 CCCCCNc1ccnc(n1)Br WXVL_AK0076LQ4646 [0,2,0,0,0,0|1,0,0]=3 409 B13R1.6 CCCCCNc1ccnc(n1)Br WXVL_AK0076LQ4646 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.6 CCCCCNc1ccnc(n1)C WXVL_AK0076LP0556 [0,2,0,0,0,0|1,0,0]=3 411 B13R1.6 CCCCCNc1ccnc(n1)C WXVL_AK0076LP0556 [0,2,0,0,0,0|1,0,0]=3 412 B13R1.6 CCCCCNc1nccc(n1)Br WXVL_AK0076LQ3192 [0,2,0,0,0,0|1,0,0]=3 413 B13R1.6 CCCCCNc1nccc(n1)Br WXVL_AK0076LQ3192 [0,2,0,0,0,0|1,0,0]=3 414 B13R1.6 CCCCCNc1nccc(n1)C WXVL_AK0076LP0007 [0,2,0,0,0,0|1,0,0]=3 415 B13R1.6 CCCCCNc1nccc(n1)C WXVL_AK0076LP0007 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.6 CCSCCNc1cc(ncn1)C WXVL_AK00494LP0109 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.6 CCSCCNc1cc(ncn1)C WXVL_AK00494LP0109 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.6 CCSCCNc1ccnc(n1)Br WXVL_AK00494LQ4646 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.6 CCSCCNc1ccnc(n1)Br WXVL_AK00494LQ4646 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.6 CCSCCNc1ccnc(n1)C WXVL_AK00494LP0556 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.6 CCSCCNc1ccnc(n1)C WXVL_AK00494LP0556 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.6 CCSCCNc1nccc(n1)Br WXVL_AK00494LQ3192 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.6 CCSCCNc1nccc(n1)Br WXVL_AK00494LQ3192 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.6 CCSCCNc1nccc(n1)C WXVL_AK00494LP0007 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.6 CCSCCNc1nccc(n1)C WXVL_AK00494LP0007 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.6 COCCCNc1cc(ncn1)C WXVL_AK00637LP0109 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.6 COCCCNc1cc(ncn1)C WXVL_AK00637LP0109 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.6 COCCCNc1ccnc(n1)Br WXVL_AK00637LQ4646 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.6 COCCCNc1ccnc(n1)Br WXVL_AK00637LQ4646 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.6 COCCCNc1ccnc(n1)C WXVL_AK00637LP0556 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.6 COCCCNc1ccnc(n1)C WXVL_AK00637LP0556 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.6 COCCCNc1nccc(n1)Br WXVL_AK00637LQ3192 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.6 COCCCNc1nccc(n1)Br WXVL_AK00637LQ3192 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.6 COCCCNc1nccc(n1)C WXVL_AK00637LP0007 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.6 COCCCNc1nccc(n1)C WXVL_AK00637LP0007 [0,2,0,0,0,0|2,0,0]=4 436 B13R1.6 CSCCCNc1cc(ncn1)C WXVL_AK0965LP0109 [0,2,0,0,0,0|2,0,0]=4 437 B13R1.6 CSCCCNc1cc(ncn1)C WXVL_AK0965LP0109 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.6 CSCCCNc1ccnc(n1)Br WXVL_AK0965LQ4646 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.6 CSCCCNc1ccnc(n1)Br WXVL_AK0965LQ4646 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.6 CSCCCNc1ccnc(n1)C WXVL_AK0965LP0556 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.6 CSCCCNc1ccnc(n1)C WXVL_AK0965LP0556 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.6 CSCCCNc1nccc(n1)Br WXVL_AK0965LQ3192 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.6 CSCCCNc1nccc(n1)Br WXVL_AK0965LQ3192 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.6 CSCCCNc1nccc(n1)C WXVL_AK0965LP0007 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.6 CSCCCNc1nccc(n1)C WXVL_AK0965LP0007 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.6 Cc1cc(ncn1)NCCCCO WXVL_AK0075LP0109 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.6 Cc1cc(ncn1)NCCCCO WXVL_AK0075LP0109 [0,2,0,0,0,0|2,0,0]=4 448 B13R1.6 Cc1ccnc(n1)NCCCCO WXVL_AK0075LP0007 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.6 Cc1ccnc(n1)NCCCCO WXVL_AK0075LP0007 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.6 Cc1nccc(n1)NCCCCO WXVL_AK0075LP0556 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.6 Cc1nccc(n1)NCCCCO WXVL_AK0075LP0556 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.6 OCCCCNc1ccnc(n1)Br WXVL_AK0075LQ4646 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.6 OCCCCNc1ccnc(n1)Br WXVL_AK0075LQ4646 [0,2,0,0,0,0|2,0,0]=4 454 B13R1.6 OCCCCNc1nccc(n1)Br WXVL_AK0075LQ3192 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.6 OCCCCNc1nccc(n1)Br WXVL_AK0075LQ3192 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [0,2,0,0,0,0|1,0,1]=4 457 B13R1.24 CCCCNC(=O)c1ccccc1 WXVL_AK00588SD0001 [0,2,0,0,0,0|1,0,1]=4 458 B13R1.24 CCCCNC(=O)c1ccccn1 WXVL_AK00588SC0058 [0,2,0,0,0,0|0,0,1]=3 459 B13R1.24 CCCCNC(=O)c1ccccn1 WXVL_AK00588SC0058 [0,2,0,0,0,0|0,0,1]=3 460 B13R1.24 CCCCNC(=O)c1cccnn1 WXVL_AK00588SC0374 [0,2,0,0,0,0|1,0,1]=4 461 B13R1.24 CCCCNC(=O)c1cccnn1 WXVL_AK00588SC0374 [0,2,0,0,0,0|1,0,1]=4 462 B13R1.24 CCCCNC(=O)c1ccncn1 WXVL_AK00588SC0231 [0,2,0,0,0,0|1,0,1]=4 463 B13R1.24 CCCCNC(=O)c1ccncn1 WXVL_AK00588SC0231 [0,2,0,0,0,0|1,0,1]=4 464 B13R1.24 CCCCNC(=O)c1ncccn1 WXVL_AK00588SC0096 [0,2,0,0,0,0|1,0,1]=4 465 B13R1.24 CCCCNC(=O)c1ncccn1 WXVL_AK00588SC0096 [0,2,0,0,0,0|1,0,1]=4 466 B13R1.24 CSCCNC(=O)c1ccccn1 WXVL_AK00440SC0058 [0,2,0,0,0,0|1,0,1]=4 467 B13R1.24 CSCCNC(=O)c1ccccn1 WXVL_AK00440SC0058 [0,2,0,0,0,0|1,0,1]=4 468 B13R1.24 O=C(NCCCO)c1ccccn1 WXVL_AK0073SC0058 [0,2,0,0,0,0|1,0,1]=4 469 B13R1.24 O=C(NCCCO)c1ccccn1 WXVL_AK0073SC0058 [0,2,0,0,0,0|1,0,1]=4 470 B13R1.28 C#CCCCCNc1ccncn1 WXVL_AK00614LP3358 [0,2,0,0,0,0|1,0,1]=4 471 B13R1.28 C#CCCCCNc1ccncn1 WXVL_AK00614LP3358 [0,2,0,0,0,0|1,0,1]=4 472 B13R1.28 C#CCCCCNc1ncccn1 WXVL_AK00614LP0002 [0,2,0,0,0,0|1,0,1]=4 473 B13R1.28 C#CCCCCNc1ncccn1 WXVL_AK00614LP0002 [0,2,0,0,0,0|1,0,1]=4 474 B13R1.28 CCCCCCNc1ccncn1 WXVL_AK0286LP3358 [0,2,0,0,0,0|1,0,0]=3 475 B13R1.28 CCCCCCNc1ccncn1 WXVL_AK0286LP3358 [0,2,0,0,0,0|1,0,0]=3 476 B13R1.28 CCCCCCNc1ncccn1 WXVL_AK0286LP0002 [0,2,0,0,0,0|1,0,0]=3 477 B13R1.28 CCCCCCNc1ncccn1 WXVL_AK0286LP0002 [0,2,0,0,0,0|1,0,0]=3 478 B13R1.28 CCOCCCNc1ccncn1 WXVL_AK0072LP3358 [0,2,0,0,0,0|1,0,0]=3 479 B13R1.28 CCOCCCNc1ccncn1 WXVL_AK0072LP3358 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.28 CCOCCCNc1ncccn1 WXVL_AK0072LP0002 [0,2,0,0,0,0|1,0,0]=3 481 B13R1.28 CCOCCCNc1ncccn1 WXVL_AK0072LP0002 [0,2,0,0,0,0|1,0,0]=3 482 B13R1.28 OCCCCCNc1ccncn1 WXVL_AK0077LP3358 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.28 OCCCCCNc1ccncn1 WXVL_AK0077LP3358 [0,2,0,0,0,0|1,0,0]=3 484 B13R1.28 OCCCCCNc1ncccn1 WXVL_AK0077LP0002 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.28 OCCCCCNc1ncccn1 WXVL_AK0077LP0002 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.28 OCCNCCNc1ccncn1 WXVL_AK0954LP3358 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.28 OCCNCCNc1ccncn1 WXVL_AK0954LP3358 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.28 OCCNCCNc1ncccn1 WXVL_AK0954LP0002 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.28 OCCNCCNc1ncccn1 WXVL_AK0954LP0002 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [0,2,0,0,0,0|1,0,1]=4 491 B13R1.42 CCCC(=O)NCc1ccccc1 WXVL_AK00502SB0073 [0,2,0,0,0,0|1,0,1]=4 492 B13R1.42 CCCC(=O)NCc1ccccn1 WXVL_AK0018SB0073 [0,2,0,0,0,0|0,0,1]=3 493 B13R1.42 CCCC(=O)NCc1ccccn1 WXVL_AK0018SB0073 [0,2,0,0,0,0|0,0,1]=3 494 B13R1.42 CCCC(=O)NCc1ccncn1 WXVL_AK1356SB0073 [0,2,0,0,0,0|1,0,1]=4 495 B13R1.42 CCCC(=O)NCc1ccncn1 WXVL_AK1356SB0073 [0,2,0,0,0,0|1,0,1]=4 496 B13R1.42 CCCC(=O)NCc1cnccn1 WXVL_AK00262SB0073 [0,2,0,0,0,0|1,0,1]=4 497 B13R1.42 CCCC(=O)NCc1cnccn1 WXVL_AK00262SB0073 [0,2,0,0,0,0|1,0,1]=4 498 B13R1.42 CCCC(=O)NCc1ncccn1 WXVL_AK0279SB0073 [0,2,0,0,0,0|1,0,1]=4 499 B13R1.42 CCCC(=O)NCc1ncccn1 WXVL_AK0279SB0073 [0,2,0,0,0,0|1,0,1]=4 500 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [0,2,0,0,0,0|1,0,1]=4 501 B13R1.42 CCNC(=O)CCc1ccccc1 WXVL_AK00476SB0067 [0,2,0,0,0,0|1,0,1]=4 502 B13R1.42 CCNC(=O)CCc1ccccn1 WXVL_AK00476SA0316 [0,2,0,0,0,0|0,0,1]=3 503 B13R1.42 CCNC(=O)CCc1ccccn1 WXVL_AK00476SA0316 [0,2,0,0,0,0|0,0,1]=3 504 B13R1.42 CCNC(=O)CCc1cnccn1 WXVL_AK00476SA2354 [0,2,0,0,0,0|1,0,1]=4 505 B13R1.42 CCNC(=O)CCc1cnccn1 WXVL_AK00476SA2354 [0,2,0,0,0,0|1,0,1]=4 506 B13R1.42 COCC(=O)NCc1ccccn1 WXVL_AK0018SB0090 [0,2,0,0,0,0|1,0,1]=4 507 B13R1.42 COCC(=O)NCc1ccccn1 WXVL_AK0018SB0090 [0,2,0,0,0,0|1,0,1]=4 508 B13R1.42 CSCC(=O)NCc1ccccn1 WXVL_AK0018SB1267 [0,2,0,0,0,0|1,0,1]=4 509 B13R1.42 CSCC(=O)NCc1ccccn1 WXVL_AK0018SB1267 [0,2,0,0,0,0|1,0,1]=4 510 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [0,2,0,0,0,0|1,0,1]=4 511 B13R1.44 CCCNC(=O)Cc1ccccc1 WXVL_AK00504SB0092 [0,2,0,0,0,0|1,0,1]=4 512 B13R1.44 CCCNC(=O)Cc1ccccn1 WXVL_AK00504SA0032 [0,2,0,0,0,0|0,0,1]=3 513 B13R1.44 CCCNC(=O)Cc1ccccn1 WXVL_AK00504SA0032 [0,2,0,0,0,0|0,0,1]=3 514 B13R1.44 CCCNC(=O)Cc1ncccn1 WXVL_AK00504SA0307 [0,2,0,0,0,0|1,0,1]=4 515 B13R1.44 CCCNC(=O)Cc1ncccn1 WXVL_AK00504SA0307 [0,2,0,0,0,0|1,0,1]=4 516 B13R1.44 CCCNC(=O)Nc1ccccn1 WXVL_AK00504YV0189 [0,2,0,0,0,0|1,0,1]=4 517 B13R1.44 CCCNC(=O)Nc1ccccn1 WXVL_AK00504YV0189 [0,2,0,0,0,0|1,0,1]=4 518 B13R1.44 CCOCC(=O)Nc1ccccn1 WXVL_AF00298SB0091 [0,2,0,0,0,0|1,0,1]=4 519 B13R1.44 CCOCC(=O)Nc1ccccn1 WXVL_AF00298SB0091 [0,2,0,0,0,0|1,0,1]=4 520 B13R1.44 CCSCC(=O)Nc1ccccn1 WXVL_AF00298SB0002 [0,2,0,0,0,0|1,0,1]=4 521 B13R1.44 CCSCC(=O)Nc1ccccn1 WXVL_AF00298SB0002 [0,2,0,0,0,0|1,0,1]=4 522 B13R1.44 COCCC(=O)Nc1ccccn1 WXVL_AF00298SB0156 [0,2,0,0,0,0|1,0,1]=4 523 B13R1.44 COCCC(=O)Nc1ccccn1 WXVL_AF00298SB0156 [0,2,0,0,0,0|1,0,1]=4 524 B13R1.44 CSCCC(=O)Nc1ccccn1 WXVL_AF00298SB0361 [0,2,0,0,0,0|1,0,1]=4 525 B13R1.44 CSCCC(=O)Nc1ccccn1 WXVL_AF00298SB0361 [0,2,0,0,0,0|1,0,1]=4 526 B13R1.44 O=C(Cc1ccccn1)NCCF WXVL_AK00466SA0032 [0,2,0,0,0,0|1,0,1]=4 527 B13R1.44 O=C(Cc1ccccn1)NCCF WXVL_AK00466SA0032 [0,2,0,0,0,0|1,0,1]=4 528 B13R1.337 CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0150 [0,2,0,0,0,0|1,0,1]=4 529 B13R1.337 CC(=O)NCCCc1ccccc1 WXVL_AK0074SB0150 [0,2,0,0,0,0|1,0,1]=4 530 B13R1.337 CC(=O)NCCOc1ccccn1 WXVL_AK2654SB0150 [0,2,0,0,0,0|1,0,1]=4 531 B13R1.337 CC(=O)NCCOc1ccccn1 WXVL_AK2654SB0150 [0,2,0,0,0,0|1,0,1]=4 532 B13R1.337 CC(C)OCCNc1ccncn1 WXVL_AK0128LP3358 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.337 CC(C)OCCNc1ccncn1 WXVL_AK0128LP3358 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.337 CC(C)OCCNc1ncccn1 WXVL_AK0128LP0002 [0,2,0,0,0,0|2,0,0]=4 535 B13R1.337 CC(C)OCCNc1ncccn1 WXVL_AK0128LP0002 [0,2,0,0,0,0|2,0,0]=4 536 B13R1.337 NC(=O)CCCCc1ccccc1 WXVL_AK0084SB0460 [0,2,0,0,0,0|1,0,1]=4 537 B13R1.337 NC(=O)CCCCc1ccccc1 WXVL_AK0084SB0460 [0,2,0,0,0,0|1,0,1]=4 538 B13R1.555 CCCCCNc1ncncc1Br WXVL_AK0076LQ2111 [0,2,0,0,0,0|1,0,0]=3 539 B13R1.555 CCCCCNc1ncncc1Br WXVL_AK0076LQ2111 [0,2,0,0,0,0|1,0,0]=3 540 B13R1.555 CCCCCNc1ncncc1C WXVL_AK0076LP0053 [0,2,0,0,0,0|1,0,0]=3 541 B13R1.555 CCCCCNc1ncncc1C WXVL_AK0076LP0053 [0,2,0,0,0,0|1,0,0]=3 542 B13R1.555 CCCCCNc1ncncc1F WXVL_AK0076LP0435 [0,2,0,0,0,0|1,0,0]=3 543 B13R1.555 CCCCCNc1ncncc1F WXVL_AK0076LP0435 [0,2,0,0,0,0|1,0,0]=3 544 B13R1.555 CCCCCNc1ncncc1I WXVL_AK0076LP3348 [0,2,0,0,0,0|1,0,0]=3 545 B13R1.555 CCCCCNc1ncncc1I WXVL_AK0076LP3348 [0,2,0,0,0,0|1,0,0]=3 546 B13R1.555 CCSCCNc1ncncc1Br WXVL_AK00494LQ2111 [0,2,0,0,0,0|2,0,0]=4 547 B13R1.555 CCSCCNc1ncncc1Br WXVL_AK00494LQ2111 [0,2,0,0,0,0|2,0,0]=4 548 B13R1.555 CCSCCNc1ncncc1C WXVL_AK00494LP0053 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.555 CCSCCNc1ncncc1C WXVL_AK00494LP0053 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.555 CCSCCNc1ncncc1F WXVL_AK00494LP0435 [0,2,0,0,0,0|2,0,0]=4 551 B13R1.555 CCSCCNc1ncncc1F WXVL_AK00494LP0435 [0,2,0,0,0,0|2,0,0]=4 552 B13R1.555 CCSCCNc1ncncc1I WXVL_AK00494LP3348 [0,2,0,0,0,0|2,0,0]=4 553 B13R1.555 CCSCCNc1ncncc1I WXVL_AK00494LP3348 [0,2,0,0,0,0|2,0,0]=4 554 B13R1.555 COCCCNc1ncncc1Br WXVL_AK00637LQ2111 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.555 COCCCNc1ncncc1Br WXVL_AK00637LQ2111 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.555 COCCCNc1ncncc1C WXVL_AK00637LP0053 [0,2,0,0,0,0|2,0,0]=4 557 B13R1.555 COCCCNc1ncncc1C WXVL_AK00637LP0053 [0,2,0,0,0,0|2,0,0]=4 558 B13R1.555 COCCCNc1ncncc1F WXVL_AK00637LP0435 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.555 COCCCNc1ncncc1F WXVL_AK00637LP0435 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.555 COCCCNc1ncncc1I WXVL_AK00637LP3348 [0,2,0,0,0,0|2,0,0]=4 561 B13R1.555 COCCCNc1ncncc1I WXVL_AK00637LP3348 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.555 CSCCCNc1ncncc1Br WXVL_AK0965LQ2111 [0,2,0,0,0,0|2,0,0]=4 563 B13R1.555 CSCCCNc1ncncc1Br WXVL_AK0965LQ2111 [0,2,0,0,0,0|2,0,0]=4 564 B13R1.555 CSCCCNc1ncncc1C WXVL_AK0965LP0053 [0,2,0,0,0,0|2,0,0]=4 565 B13R1.555 CSCCCNc1ncncc1C WXVL_AK0965LP0053 [0,2,0,0,0,0|2,0,0]=4 566 B13R1.555 CSCCCNc1ncncc1F WXVL_AK0965LP0435 [0,2,0,0,0,0|2,0,0]=4 567 B13R1.555 CSCCCNc1ncncc1F WXVL_AK0965LP0435 [0,2,0,0,0,0|2,0,0]=4 568 B13R1.555 CSCCCNc1ncncc1I WXVL_AK0965LP3348 [0,2,0,0,0,0|2,0,0]=4 569 B13R1.555 CSCCCNc1ncncc1I WXVL_AK0965LP3348 [0,2,0,0,0,0|2,0,0]=4 570 B13R1.555 Cc1cncnc1NCCCCO WXVL_AK0075LP0053 [0,2,0,0,0,0|2,0,0]=4 571 B13R1.555 Cc1cncnc1NCCCCO WXVL_AK0075LP0053 [0,2,0,0,0,0|2,0,0]=4 572 B13R1.555 OCCCCNc1ncncc1Br WXVL_AK0075LQ2111 [0,2,0,0,0,0|2,0,0]=4 573 B13R1.555 OCCCCNc1ncncc1Br WXVL_AK0075LQ2111 [0,2,0,0,0,0|2,0,0]=4 574 B13R1.555 OCCCCNc1ncncc1F WXVL_AK0075LP0435 [0,2,0,0,0,0|2,0,0]=4 575 B13R1.555 OCCCCNc1ncncc1F WXVL_AK0075LP0435 [0,2,0,0,0,0|2,0,0]=4 576 B13R1.555 OCCCCNc1ncncc1I WXVL_AK0075LP3348 [0,2,0,0,0,0|2,0,0]=4 577 B13R1.555 OCCCCNc1ncncc1I WXVL_AK0075LP3348 [0,2,0,0,0,0|2,0,0]=4 578 B13R1.718 CC(CO)CCNc1ccncn1 WXVL_AK4143LP3358 [0,2,0,0,0,0|2,0,0]=4 579 B13R1.718 CC(CO)CCNc1ccncn1 WXVL_AK4143LP3358 [0,2,0,0,0,0|2,0,0]=4 580 B13R1.718 CC(CO)CCNc1ncccn1 WXVL_AK4143LP0002 [0,2,0,0,0,0|2,0,0]=4 581 B13R1.718 CC(CO)CCNc1ncccn1 WXVL_AK4143LP0002 [0,2,0,0,0,0|2,0,0]=4 582 B13R1.718 CCC(=O)NCCc1ccccc1 WXVL_AK00498SB0064 [0,2,0,0,0,0|1,0,1]=4 583 B13R1.718 CCC(=O)NCCc1ccccc1 WXVL_AK00498SB0064 [0,2,0,0,0,0|1,0,1]=4 584 B13R1.718 CCC(=O)NCCc1ccccn1 WXVL_AK0019SB0064 [0,2,0,0,0,0|0,0,1]=3 585 B13R1.718 CCC(=O)NCCc1ccccn1 WXVL_AK0019SB0064 [0,2,0,0,0,0|0,0,1]=3 586 B13R1.718 CCC(=O)NCCc1ccncn1 WXVL_AK6509SB0064 [0,2,0,0,0,0|1,0,1]=4 587 B13R1.718 CCC(=O)NCCc1ccncn1 WXVL_AK6509SB0064 [0,2,0,0,0,0|1,0,1]=4 588 B13R1.718 CNC(=O)CCCc1ccccc1 WXVL_AK00442SB0121 [0,2,0,0,0,0|1,0,1]=4 589 B13R1.718 CNC(=O)CCCc1ccccc1 WXVL_AK00442SB0121 [0,2,0,0,0,0|1,0,1]=4 590 B13R1.718 O=C(CO)NCCc1ccccn1 WXVL_AK0019SB2706 [0,2,0,0,0,0|1,0,1]=4 591 B13R1.718 O=C(CO)NCCc1ccccn1 WXVL_AK0019SB2706 [0,2,0,0,0,0|1,0,1]=4 592 B13R1.11 CCC(=O)NC(C)c1ccccn1 WXVL_AK0585SB0064 [0,2,0,0,0,0|1,0,1]=4 593 B13R1.11 CCC(=O)NC(C)c1ccccn1 WXVL_AK0585SB0064 [0,2,0,0,0,0|1,0,1]=4 594 B13R1.11 CCC(=O)N[C@@H](C)c1ccccn1 WXVL_AK00388SB0064 [0,2,0,0,0,0|1,0,1]=4 595 B13R1.11 CCC(=O)N[C@@H](C)c1ccccn1 WXVL_AK00388SB0064 [0,2,0,0,0,0|1,0,1]=4 596 B13R1.11 CCC(=O)N[C@H](C)c1ccccn1 WXVL_AK1519SB0064 [0,2,0,0,0,0|1,0,1]=4 597 B13R1.11 CCC(=O)N[C@H](C)c1ccccn1 WXVL_AK1519SB0064 [0,2,0,0,0,0|1,0,1]=4 598 B13R1.11 CC[C@H](C)NC(=O)c1ccccn1 WXVL_AK00678SC0058 [0,2,0,0,0,0|1,0,1]=4 599 B13R1.11 CC[C@H](C)NC(=O)c1ccccn1 WXVL_AK00678SC0058 [0,2,0,0,0,0|1,0,1]=4 600 B13R1.15 CCC(=O)NCc1cc(ccn1)Br WXVL_AK1470SB0064 [0,2,0,0,0,0|1,0,1]=4 601 B13R1.15 CCC(=O)NCc1cc(ccn1)Br WXVL_AK1470SB0064 [0,2,0,0,0,0|1,0,1]=4 602 B13R1.15 CCC(=O)NCc1cc(ccn1)C WXVL_AK00280SB0064 [0,2,0,0,0,0|1,0,1]=4 603 B13R1.15 CCC(=O)NCc1cc(ccn1)C WXVL_AK00280SB0064 [0,2,0,0,0,0|1,0,1]=4 604 B13R1.15 CCC(=O)NCc1cc(ccn1)Cl WXVL_AK0280SB0064 [0,2,0,0,0,0|1,0,1]=4 605 B13R1.15 CCC(=O)NCc1cc(ccn1)Cl WXVL_AK0280SB0064 [0,2,0,0,0,0|1,0,1]=4 606 B13R1.15 CCC(=O)NCc1cccc(n1)Br WXVL_AK2161SB0064 [0,2,0,0,0,0|1,0,1]=4 607 B13R1.15 CCC(=O)NCc1cccc(n1)Br WXVL_AK2161SB0064 [0,2,0,0,0,0|1,0,1]=4 608 B13R1.15 CCC(=O)NCc1cccc(n1)C WXVL_AK0164SB0064 [0,2,0,0,0,0|1,0,1]=4 609 B13R1.15 CCC(=O)NCc1cccc(n1)C WXVL_AK0164SB0064 [0,2,0,0,0,0|1,0,1]=4 610 B13R1.15 CCC(=O)NCc1cccc(n1)F WXVL_AK1928SB0064 [0,2,0,0,0,0|1,0,1]=4 611 B13R1.15 CCC(=O)NCc1cccc(n1)F WXVL_AK1928SB0064 [0,2,0,0,0,0|1,0,1]=4 612 B13R1.15 CNC(=O)CCc1cc(ccn1)F WXVL_AK00442SA0107 [0,2,0,0,0,0|1,0,1]=4 613 B13R1.15 CNC(=O)CCc1cc(ccn1)F WXVL_AK00442SA0107 [0,2,0,0,0,0|1,0,1]=4 614 B13R1.15 CNC(=O)CCc1cccc(n1)C WXVL_AK00442SA0044 [0,2,0,0,0,0|1,0,1]=4 615 B13R1.15 CNC(=O)CCc1cccc(n1)C WXVL_AK00442SA0044 [0,2,0,0,0,0|1,0,1]=4 616 B13R1.135 CCC(=O)N(C)Cc1ccccn1 WXVL_AN0108SB0064 [0,2,0,0,0,0|1,0,1]=4 617 B13R1.135 CCC(=O)N(C)Cc1ccccn1 WXVL_AN0108SB0064 [0,2,0,0,0,0|1,0,1]=4 618 B13R1.135 CCC(C)C(=O)Nc1ccccn1 WXVL_AF00298SB0054 [0,2,0,0,0,0|1,0,1]=4 619 B13R1.135 CCC(C)C(=O)Nc1ccccn1 WXVL_AF00298SB0054 [0,2,0,0,0,0|1,0,1]=4 620 B13R1.135 CC[C@@H](C)C(=O)Nc1ccccn1 WXVL_AF00298SB00054 [0,2,0,0,0,0|1,0,1]=4 621 B13R1.135 CC[C@@H](C)C(=O)Nc1ccccn1 WXVL_AF00298SB00054 [0,2,0,0,0,0|1,0,1]=4 622 B13R1.135 CC[C@H](O)C(=O)Nc1ccccn1 WXVL_AF00298SB3573 [0,2,0,0,0,0|1,0,1]=4 623 B13R1.135 CC[C@H](O)C(=O)Nc1ccccn1 WXVL_AF00298SB3573 [0,2,0,0,0,0|1,0,1]=4 624 B13R1.135 CNC(=O)C(C)Cc1ccccn1 WXVL_AK00442SA0686 [0,2,0,0,0,0|1,0,1]=4 625 B13R1.135 CNC(=O)C(C)Cc1ccccn1 WXVL_AK00442SA0686 [0,2,0,0,0,0|1,0,1]=4 626 B13R1.254 CCS(=O)(=O)NCc1ccccn1 WXVL_AK0018HU0028 [0,2,0,0,0,0|2,0,0]=4 627 B13R1.254 CCS(=O)(=O)NCc1ccccn1 WXVL_AK0018HU0028 [0,2,0,0,0,0|2,0,0]=4 628 B13R1.351 CC(C)C(=O)NCc1ccccn1 WXVL_AK0018SB0052 [0,2,0,0,0,0|1,0,1]=4 629 B13R1.351 CC(C)C(=O)NCc1ccccn1 WXVL_AK0018SB0052 [0,2,0,0,0,0|1,0,1]=4 630 B13R1.351 CC(S)C(=O)NCc1ccccn1 WXVL_AK0018SB2708 [0,2,0,0,0,0|1,0,1]=4 631 B13R1.351 CC(S)C(=O)NCc1ccccn1 WXVL_AK0018SB2708 [0,2,0,0,0,0|1,0,1]=4 632 B13R1.351 CN(C)C(=O)CCc1ccccn1 WXVL_AN0032SA0316 [0,2,0,0,0,0|1,0,1]=4 633 B13R1.351 CN(C)C(=O)CCc1ccccn1 WXVL_AN0032SA0316 [0,2,0,0,0,0|1,0,1]=4 634 B13R1.351 C[C@@H](O)C(=O)NCc1ccccn1 WXVL_AK0018SB1085 [0,2,0,0,0,0|1,0,1]=4 635 B13R1.351 C[C@@H](O)C(=O)NCc1ccccn1 WXVL_AK0018SB1085 [0,2,0,0,0,0|1,0,1]=4 636 B13R1.528 CCC(=O)NCc1ncccc1C WXVL_AK0162SB0064 [0,2,0,0,0,0|1,0,1]=4 637 B13R1.528 CCC(=O)NCc1ncccc1C WXVL_AK0162SB0064 [0,2,0,0,0,0|1,0,1]=4 638 B13R1.528 CCC(=O)NCc1ncccc1F WXVL_AK00098SB0064 [0,2,0,0,0,0|1,0,1]=4 639 B13R1.528 CCC(=O)NCc1ncccc1F WXVL_AK00098SB0064 [0,2,0,0,0,0|1,0,1]=4 640 B13R1.528 CNC(=O)CCc1ncccc1C WXVL_AK00442SA0096 [0,2,0,0,0,0|1,0,1]=4 641 B13R1.528 CNC(=O)CCc1ncccc1C WXVL_AK00442SA0096 [0,2,0,0,0,0|1,0,1]=4 642 B13R1.16 CCCCNc1ncnc(c1Br)C WXVL_AK00588LQ2336 [0,2,0,0,0,0|2,0,0]=4 643 B13R1.16 CCCCNc1ncnc(c1Br)C WXVL_AK00588LQ2336 [0,2,0,0,0,0|2,0,0]=4 644 B13R1.18 CCCNC(=O)c1cc(ccn1)Br WXVL_AK00504SC0243 [0,2,0,0,0,0|1,0,1]=4 645 B13R1.18 CCCNC(=O)c1cc(ccn1)Br WXVL_AK00504SC0243 [0,2,0,0,0,0|1,0,1]=4 646 B13R1.18 CCCNC(=O)c1cc(ccn1)C WXVL_AK00504SC0235 [0,2,0,0,0,0|1,0,1]=4 647 B13R1.18 CCCNC(=O)c1cc(ccn1)C WXVL_AK00504SC0235 [0,2,0,0,0,0|1,0,1]=4 648 B13R1.18 CCCNC(=O)c1cc(ccn1)Cl WXVL_AK00504SC0373 [0,2,0,0,0,0|1,0,1]=4 649 B13R1.18 CCCNC(=O)c1cc(ccn1)Cl WXVL_AK00504SC0373 [0,2,0,0,0,0|1,0,1]=4 650 B13R1.18 CCCNC(=O)c1cccc(n1)Br WXVL_AK00504SC0366 [0,2,0,0,0,0|1,0,1]=4 651 B13R1.18 CCCNC(=O)c1cccc(n1)Br WXVL_AK00504SC0366 [0,2,0,0,0,0|1,0,1]=4 652 B13R1.18 CCCNC(=O)c1cccc(n1)F WXVL_AK00504SC0386 [0,2,0,0,0,0|1,0,1]=4 653 B13R1.18 CCCNC(=O)c1cccc(n1)F WXVL_AK00504SC0386 [0,2,0,0,0,0|1,0,1]=4 654 B13R1.18 CCCNC(=O)c1cccc(n1)O WXVL_AK00504SC0084 [0,2,0,0,0,0|1,0,1]=4 655 B13R1.18 CCCNC(=O)c1cccc(n1)O WXVL_AK00504SC0084 [0,2,0,0,0,0|1,0,1]=4 656 B13R1.20 CCCC(=O)Nc1cc(ccn1)Cl WXVL_AF3296SB0073 [0,2,0,0,0,0|1,0,1]=4 657 B13R1.20 CCCC(=O)Nc1cc(ccn1)Cl WXVL_AF3296SB0073 [0,2,0,0,0,0|1,0,1]=4 658 B13R1.20 CCCC(=O)Nc1cc(ccn1)F WXVL_AF0152SB0073 [0,2,0,0,0,0|1,0,1]=4 659 B13R1.20 CCCC(=O)Nc1cc(ccn1)F WXVL_AF0152SB0073 [0,2,0,0,0,0|1,0,1]=4 660 B13R1.20 CCCC(=O)Nc1cc(ccn1)O WXVL_AF3303SB0073 [0,2,0,0,0,0|1,0,1]=4 661 B13R1.20 CCCC(=O)Nc1cc(ccn1)O WXVL_AF3303SB0073 [0,2,0,0,0,0|1,0,1]=4 662 B13R1.20 CCCC(=O)Nc1cccc(n1)Br WXVL_AF0038SB0073 [0,2,0,0,0,0|1,0,1]=4 663 B13R1.20 CCCC(=O)Nc1cccc(n1)Br WXVL_AF0038SB0073 [0,2,0,0,0,0|1,0,1]=4 664 B13R1.20 CCCC(=O)Nc1cccc(n1)C WXVL_AF0019SB0073 [0,2,0,0,0,0|1,0,1]=4 665 B13R1.20 CCCC(=O)Nc1cccc(n1)C WXVL_AF0019SB0073 [0,2,0,0,0,0|1,0,1]=4 666 B13R1.20 CCCC(=O)Nc1cccc(n1)Cl WXVL_AF0312SB0073 [0,2,0,0,0,0|1,0,1]=4 667 B13R1.20 CCCC(=O)Nc1cccc(n1)Cl WXVL_AF0312SB0073 [0,2,0,0,0,0|1,0,1]=4 668 B13R1.20 CCCC(=O)Nc1cccc(n1)F WXVL_AF0307SB0073 [0,2,0,0,0,0|1,0,1]=4 669 B13R1.20 CCCC(=O)Nc1cccc(n1)F WXVL_AF0307SB0073 [0,2,0,0,0,0|1,0,1]=4 670 B13R1.20 CCCC(=O)Nc1cccc(n1)I WXVL_AF0430SB0073 [0,2,0,0,0,0|1,0,1]=4 671 B13R1.20 CCCC(=O)Nc1cccc(n1)I WXVL_AF0430SB0073 [0,2,0,0,0,0|1,0,1]=4 672 B13R1.20 CCCC(=O)Nc1cccc(n1)O WXVL_AF2469SB0073 [0,2,0,0,0,0|1,0,1]=4 673 B13R1.20 CCCC(=O)Nc1cccc(n1)O WXVL_AF2469SB0073 [0,2,0,0,0,0|1,0,1]=4 674 B13R1.20 CCC[C@H](C)Nc1cc(ncn1)C WXVL_AK00682LP0109 [0,2,0,0,0,0|2,0,0]=4 675 B13R1.20 CCC[C@H](C)Nc1cc(ncn1)C WXVL_AK00682LP0109 [0,2,0,0,0,0|2,0,0]=4 676 B13R1.20 CCC[C@H](C)Nc1ccnc(n1)Br WXVL_AK00682LQ4646 [0,2,0,0,0,0|2,0,0]=4 677 B13R1.20 CCC[C@H](C)Nc1ccnc(n1)Br WXVL_AK00682LQ4646 [0,2,0,0,0,0|2,0,0]=4 678 B13R1.20 CCC[C@H](C)Nc1ccnc(n1)C WXVL_AK00682LP0556 [0,2,0,0,0,0|2,0,0]=4 679 B13R1.20 CCC[C@H](C)Nc1ccnc(n1)C WXVL_AK00682LP0556 [0,2,0,0,0,0|2,0,0]=4 680 B13R1.20 CCC[C@H](C)Nc1nccc(n1)Br WXVL_AK00682LQ3192 [0,2,0,0,0,0|2,0,0]=4 681 B13R1.20 CCC[C@H](C)Nc1nccc(n1)Br WXVL_AK00682LQ3192 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.20 CCC[C@H](C)Nc1nccc(n1)C WXVL_AK00682LP0007 [0,2,0,0,0,0|2,0,0]=4 683 B13R1.20 CCC[C@H](C)Nc1nccc(n1)C WXVL_AK00682LP0007 [0,2,0,0,0,0|2,0,0]=4 684 B13R1.20 CCNC(=O)Cc1cccc(n1)C WXVL_AK00476SA0399 [0,2,0,0,0,0|1,0,1]=4 685 B13R1.20 CCNC(=O)Cc1cccc(n1)C WXVL_AK00476SA0399 [0,2,0,0,0,0|1,0,1]=4 686 B13R1.20 CCNC(=O)Cc1cccc(n1)Cl WXVL_AK00476SA0313 [0,2,0,0,0,0|1,0,1]=4 687 B13R1.20 CCNC(=O)Cc1cccc(n1)Cl WXVL_AK00476SA0313 [0,2,0,0,0,0|1,0,1]=4 688 B13R1.55 CCCCNc1cc(nc(n1)C)C WXVL_AK00588LP0261 [0,2,0,0,0,0|2,0,0]=4 689 B13R1.55 CCCCNc1cc(nc(n1)C)C WXVL_AK00588LP0261 [0,2,0,0,0,0|2,0,0]=4 690 B13R1.55 CCCCNc1nc(cc(n1)C)C WXVL_AK00588LP0127 [0,2,0,0,0,0|2,0,0]=4 691 B13R1.55 CCCCNc1nc(cc(n1)C)C WXVL_AK00588LP0127 [0,2,0,0,0,0|2,0,0]=4 692 B13R1.149 CC(C)CCNc1ccnc(n1)Br WXVL_AK0068LQ4646 [0,2,0,0,0,0|2,0,0]=4 693 B13R1.149 CC(C)CCNc1ccnc(n1)Br WXVL_AK0068LQ4646 [0,2,0,0,0,0|2,0,0]=4 694 B13R1.149 CC(C)CCNc1nccc(n1)Br WXVL_AK0068LQ3192 [0,2,0,0,0,0|2,0,0]=4 695 B13R1.149 CC(C)CCNc1nccc(n1)Br WXVL_AK0068LQ3192 [0,2,0,0,0,0|2,0,0]=4 696 B13R1.149 Cc1cc(ncn1)NCCC(C)C WXVL_AK0068LP0109 [0,2,0,0,0,0|2,0,0]=4 697 B13R1.149 Cc1cc(ncn1)NCCC(C)C WXVL_AK0068LP0109 [0,2,0,0,0,0|2,0,0]=4 698 B13R1.149 Cc1ccnc(n1)NCCC(C)C WXVL_AK0068LP0007 [0,2,0,0,0,0|2,0,0]=4 699 B13R1.149 Cc1ccnc(n1)NCCC(C)C WXVL_AK0068LP0007 [0,2,0,0,0,0|2,0,0]=4 700 B13R1.149 Cc1nccc(n1)NCCC(C)C WXVL_AK0068LP0556 [0,2,0,0,0,0|2,0,0]=4 701 B13R1.149 Cc1nccc(n1)NCCC(C)C WXVL_AK0068LP0556 [0,2,0,0,0,0|2,0,0]=4 702 B13R1.656 CCCCNc1nc(ncc1Br)C WXVL_AK00588LQ3479 [0,2,0,0,0,0|2,0,0]=4 703 B13R1.656 CCCCNc1nc(ncc1Br)C WXVL_AK00588LQ3479 [0,2,0,0,0,0|2,0,0]=4 704 B13R1.656 CCCCNc1nc(ncc1F)C WXVL_AK00588LP0581 [0,2,0,0,0,0|2,0,0]=4 705 B13R1.656 CCCCNc1nc(ncc1F)C WXVL_AK00588LP0581 [0,2,0,0,0,0|2,0,0]=4 706 B13R1.666 CCCCNc1cc(ncn1)C#N WXVL_AK00588LP1065 [0,2,0,0,0,0|2,0,0]=4 707 B13R1.666 CCCCNc1cc(ncn1)C#N WXVL_AK00588LP1065 [0,2,0,0,0,0|2,0,0]=4 708 B13R1.666 CCCCNc1cc(ncn1)OC WXVL_AK00588LP0072 [0,2,0,0,0,0|2,0,0]=4 709 B13R1.666 CCCCNc1cc(ncn1)OC WXVL_AK00588LP0072 [0,2,0,0,0,0|2,0,0]=4 710 B13R1.666 CCCCNc1cc(ncn1)SC WXVL_AK00588LP0441 [0,2,0,0,0,0|2,0,0]=4 711 B13R1.666 CCCCNc1cc(ncn1)SC WXVL_AK00588LP0441 [0,2,0,0,0,0|2,0,0]=4 712 B13R1.666 CCCCNc1ccnc(n1)OC WXVL_AK00588LP0547 [0,2,0,0,0,0|2,0,0]=4 713 B13R1.666 CCCCNc1ccnc(n1)OC WXVL_AK00588LP0547 [0,2,0,0,0,0|2,0,0]=4 714 B13R1.666 CCCCNc1ccnc(n1)SC WXVL_AK00588LP0197 [0,2,0,0,0,0|2,0,0]=4 715 B13R1.666 CCCCNc1ccnc(n1)SC WXVL_AK00588LP0197 [0,2,0,0,0,0|2,0,0]=4 716 B13R1.666 CCCCNc1nccc(n1)C#N WXVL_AK00588LP0319 [0,2,0,0,0,0|2,0,0]=4 717 B13R1.666 CCCCNc1nccc(n1)C#N WXVL_AK00588LP0319 [0,2,0,0,0,0|2,0,0]=4 718 B13R1.666 CCCCNc1nccc(n1)OC WXVL_AK00588LP0232 [0,2,0,0,0,0|2,0,0]=4 719 B13R1.666 CCCCNc1nccc(n1)OC WXVL_AK00588LP0232 [0,2,0,0,0,0|2,0,0]=4 720 B13R1.45 CC(C)CNC(=O)c1ccccn1 WXVL_AK00544SC0058 [0,2,0,0,0,0|1,0,1]=4 721 B13R1.45 CC(C)CNC(=O)c1ccccn1 WXVL_AK00544SC0058 [0,2,0,0,0,0|1,0,1]=4 722 B13R1.45 CC(O)CNC(=O)c1ccccn1 WXVL_AK0052SC0058 [0,2,0,0,0,0|1,0,1]=4 723 B13R1.45 CC(O)CNC(=O)c1ccccn1 WXVL_AK0052SC0058 [0,2,0,0,0,0|1,0,1]=4 724 B13R1.45 C[C@H](O)CNC(=O)c1ccccn1 WXVL_AK0113SC0058 [0,2,0,0,0,0|1,0,1]=4 725 B13R1.45 C[C@H](O)CNC(=O)c1ccccn1 WXVL_AK0113SC0058 [0,2,0,0,0,0|1,0,1]=4 726 B13R1.122 CCCNS(=O)(=O)c1ccccn1 WXVL_AK00504HU0098 [0,2,0,0,0,0|2,0,0]=4 727 B13R1.122 CCCNS(=O)(=O)c1ccccn1 WXVL_AK00504HU0098 [0,2,0,0,0,0|2,0,0]=4 728 B13R1.674 CCCNC(=O)c1ncccc1Br WXVL_AK00504SC0501 [0,2,0,0,0,0|1,0,1]=4 729 B13R1.674 CCCNC(=O)c1ncccc1Br WXVL_AK00504SC0501 [0,2,0,0,0,0|1,0,1]=4 730 B13R1.674 CCCNC(=O)c1ncccc1C WXVL_AK00504SC0008 [0,2,0,0,0,0|1,0,1]=4 731 B13R1.674 CCCNC(=O)c1ncccc1C WXVL_AK00504SC0008 [0,2,0,0,0,0|1,0,1]=4 732 B13R1.674 CCCNC(=O)c1ncccc1Cl WXVL_AK00504SC0609 [0,2,0,0,0,0|1,0,1]=4 733 B13R1.674 CCCNC(=O)c1ncccc1Cl WXVL_AK00504SC0609 [0,2,0,0,0,0|1,0,1]=4 734 B13R1.674 CCCNC(=O)c1ncccc1F WXVL_AK00504SC0773 [0,2,0,0,0,0|1,0,1]=4 735 B13R1.674 CCCNC(=O)c1ncccc1F WXVL_AK00504SC0773 [0,2,0,0,0,0|1,0,1]=4 736 B13R1.79 CCC[C@@H](CO)Nc1ccncn1 WXVL_AK2551LP3358 [0,2,0,0,0,0|2,0,0]=4 737 B13R1.79 CCC[C@@H](CO)Nc1ccncn1 WXVL_AK2551LP3358 [0,2,0,0,0,0|2,0,0]=4 738 B13R1.79 CCC[C@@H](CO)Nc1ncccn1 WXVL_AK2551LP0002 [0,2,0,0,0,0|2,0,0]=4 739 B13R1.79 CCC[C@@H](CO)Nc1ncccn1 WXVL_AK2551LP0002 [0,2,0,0,0,0|2,0,0]=4 740 B13R1.348 CC(C)CC(=O)Nc1ccccn1 WXVL_AF00298SB0063 [0,2,0,0,0,0|1,0,1]=4 741 B13R1.348 CC(C)CC(=O)Nc1ccccn1 WXVL_AF00298SB0063 [0,2,0,0,0,0|1,0,1]=4 742 B13R1.348 CC(C)NC(=O)Cc1ccccn1 WXVL_AK0030SA0032 [0,2,0,0,0,0|1,0,1]=4 743 B13R1.348 CC(C)NC(=O)Cc1ccccn1 WXVL_AK0030SA0032 [0,2,0,0,0,0|1,0,1]=4 744 B13R1.348 CC(O)CC(=O)Nc1ccccn1 WXVL_AF00298SB3643 [0,2,0,0,0,0|1,0,1]=4 745 B13R1.348 CC(O)CC(=O)Nc1ccccn1 WXVL_AF00298SB3643 [0,2,0,0,0,0|1,0,1]=4 746 B13R1.470 CCCC(=O)Nc1ncccc1Br WXVL_AF0053SB0073 [0,2,0,0,0,0|1,0,1]=4 747 B13R1.470 CCCC(=O)Nc1ncccc1Br WXVL_AF0053SB0073 [0,2,0,0,0,0|1,0,1]=4 748 B13R1.470 CCCC(=O)Nc1ncccc1C WXVL_AF0013SB0073 [0,2,0,0,0,0|1,0,1]=4 749 B13R1.470 CCCC(=O)Nc1ncccc1C WXVL_AF0013SB0073 [0,2,0,0,0,0|1,0,1]=4 750 B13R1.470 CCCC(=O)Nc1ncccc1Cl WXVL_AF1147SB0073 [0,2,0,0,0,0|1,0,1]=4 751 B13R1.470 CCCC(=O)Nc1ncccc1Cl WXVL_AF1147SB0073 [0,2,0,0,0,0|1,0,1]=4 752 B13R1.470 CCCC(=O)Nc1ncccc1F WXVL_AF0321SB0073 [0,2,0,0,0,0|1,0,1]=4 753 B13R1.470 CCCC(=O)Nc1ncccc1F WXVL_AF0321SB0073 [0,2,0,0,0,0|1,0,1]=4 754 B13R1.470 CCCC(=O)Nc1ncccc1I WXVL_AF0298SB0073 [0,2,0,0,0,0|1,0,1]=4 755 B13R1.470 CCCC(=O)Nc1ncccc1I WXVL_AF0298SB0073 [0,2,0,0,0,0|1,0,1]=4 756 B13R1.470 CCCC(=O)Nc1ncccc1O WXVL_AF0347SB0073 [0,2,0,0,0,0|1,0,1]=4 757 B13R1.470 CCCC(=O)Nc1ncccc1O WXVL_AF0347SB0073 [0,2,0,0,0,0|1,0,1]=4 758 B13R1.470 CCC[C@H](C)Nc1ncncc1Br WXVL_AK00682LQ2111 [0,2,0,0,0,0|2,0,0]=4 759 B13R1.470 CCC[C@H](C)Nc1ncncc1Br WXVL_AK00682LQ2111 [0,2,0,0,0,0|2,0,0]=4 760 B13R1.470 CCC[C@H](C)Nc1ncncc1C WXVL_AK00682LP0053 [0,2,0,0,0,0|2,0,0]=4 761 B13R1.470 CCC[C@H](C)Nc1ncncc1C WXVL_AK00682LP0053 [0,2,0,0,0,0|2,0,0]=4 762 B13R1.470 CCC[C@H](C)Nc1ncncc1F WXVL_AK00682LP0435 [0,2,0,0,0,0|2,0,0]=4 763 B13R1.470 CCC[C@H](C)Nc1ncncc1F WXVL_AK00682LP0435 [0,2,0,0,0,0|2,0,0]=4 764 B13R1.470 CCC[C@H](C)Nc1ncncc1I WXVL_AK00682LP3348 [0,2,0,0,0,0|2,0,0]=4 765 B13R1.470 CCC[C@H](C)Nc1ncncc1I WXVL_AK00682LP3348 [0,2,0,0,0,0|2,0,0]=4 766 B13R1.1327 CCCS(=O)(=O)Nc1ccccn1 WXVL_AF00298HU0030 [0,2,0,0,0,0|2,0,0]=4 767 B13R1.1327 CCCS(=O)(=O)Nc1ccccn1 WXVL_AF00298HU0030 [0,2,0,0,0,0|2,0,0]=4 768 B13R1.158 CC(C)CCNc1ncncc1Br WXVL_AK0068LQ2111 [0,2,0,0,0,0|2,0,0]=4 769 B13R1.158 CC(C)CCNc1ncncc1Br WXVL_AK0068LQ2111 [0,2,0,0,0,0|2,0,0]=4 770 B13R1.158 CC(C)CCNc1ncncc1F WXVL_AK0068LP0435 [0,2,0,0,0,0|2,0,0]=4 771 B13R1.158 CC(C)CCNc1ncncc1F WXVL_AK0068LP0435 [0,2,0,0,0,0|2,0,0]=4 772 B13R1.158 CC(C)CCNc1ncncc1I WXVL_AK0068LP3348 [0,2,0,0,0,0|2,0,0]=4 773 B13R1.158 CC(C)CCNc1ncncc1I WXVL_AK0068LP3348 [0,2,0,0,0,0|2,0,0]=4 774 B13R1.158 Cc1cncnc1NCCC(C)C WXVL_AK0068LP0053 [0,2,0,0,0,0|2,0,0]=4 775 B13R1.158 Cc1cncnc1NCCC(C)C WXVL_AK0068LP0053 [0,2,0,0,0,0|2,0,0]=4 776 B13R1.3523 CC(C)(O)CCNc1ccncn1 WXVL_AK1558LP3358 [0,2,0,0,0,0|2,0,0]=4 777 B13R1.3523 CC(C)(O)CCNc1ccncn1 WXVL_AK1558LP3358 [0,2,0,0,0,0|2,0,0]=4 778 B13R1.3523 CC(C)(O)CCNc1ncccn1 WXVL_AK1558LP0002 [0,2,0,0,0,0|2,0,0]=4 779 B13R1.3523 CC(C)(O)CCNc1ncccn1 WXVL_AK1558LP0002 [0,2,0,0,0,0|2,0,0]=4 780 B13R1.84 CCCCNc1ncncc1C#N WXVL_AK00588LP1249 [0,2,0,0,0,0|2,0,0]=4 781 B13R1.84 CCCCNc1ncncc1C#N WXVL_AK00588LP1249 [0,2,0,0,0,0|2,0,0]=4 782 B13R1.84 CCCCNc1ncncc1OC WXVL_AK00588LP0652 [0,2,0,0,0,0|2,0,0]=4 783 B13R1.84 CCCCNc1ncncc1OC WXVL_AK00588LP0652 [0,2,0,0,0,0|2,0,0]=4 784 B11R2.238 c1cc(ncn1)NC2CC2 WXVL_AK0001LP3358 [1,0,0,1,0,0|2,0,0]=4 785 B11R2.238 c1cc(ncn1)NC2CC2 WXVL_AK0001LP3358 [1,0,0,1,0,0|2,0,0]=4 786 B11R2.238 c1cnc(nc1)NC2CC2 WXVL_AK0001LP0002 [1,0,0,1,0,0|2,0,0]=4 787 B11R2.238 c1cnc(nc1)NC2CC2 WXVL_AK0001LP0002 [1,0,0,1,0,0|2,0,0]=4 788 B13R2.12 Brc1cnc(nc1)N2CCCC2 WXVL_AN0008LQ1546 [0,1,0,1,0,0|2,0,0]=4 789 B13R2.12 Brc1cnc(nc1)N2CCCC2 WXVL_AN0008LQ1546 [0,1,0,1,0,0|2,0,0]=4 790 B13R2.12 Cc1cnc(nc1)N2CCCC2 WXVL_AN0008LP0025 [0,1,0,1,0,0|2,0,0]=4 791 B13R2.12 Cc1cnc(nc1)N2CCCC2 WXVL_AN0008LP0025 [0,1,0,1,0,0|2,0,0]=4 792 B13R2.12 Fc1cnc(nc1)N2CCCC2 WXVL_AN0008LP0017 [0,1,0,1,0,0|2,0,0]=4 793 B13R2.12 Fc1cnc(nc1)N2CCCC2 WXVL_AN0008LP0017 [0,1,0,1,0,0|2,0,0]=4 794 B13R2.12 Ic1cnc(nc1)N2CCCC2 WXVL_AN0008LP3340 [0,1,0,1,0,0|2,0,0]=4 795 B13R2.12 Ic1cnc(nc1)N2CCCC2 WXVL_AN0008LP3340 [0,1,0,1,0,0|2,0,0]=4 796 B13R2.3 c1cc(ncn1)N2CCOCC2 WXVL_AN00478LP3358 [0,1,0,1,0,0|2,0,0]=4 797 B13R2.3 c1cc(ncn1)N2CCOCC2 WXVL_AN00478LP3358 [0,1,0,1,0,0|2,0,0]=4 798 B13R2.3 c1cc(ncn1)N2CCSCC2 WXVL_AN0896LP3358 [0,1,0,1,0,0|2,0,0]=4 799 B13R2.3 c1cnc(nc1)N2CCOCC2 WXVL_AN00478LP0002 [0,1,0,1,0,0|2,0,0]=4 800 B13R2.3 c1cnc(nc1)N2CCOCC2 WXVL_AN00478LP0002 [0,1,0,1,0,0|2,0,0]=4 801 B13R2.3 c1cnc(nc1)N2CCSCC2 WXVL_AN0896LP0002 [0,1,0,1,0,0|2,0,0]=4 802 B13R2.15 C[C@@H]1CCCN1c2ccncn2 WXVL_AN00593LP3358 [0,1,0,1,0,0|1,0,0]=3 803 B13R2.15 C[C@@H]1CCCN1c2ncccn2 WXVL_AN00593LP0002 [0,1,0,1,0,0|1,0,0]=3 804 B13R2.56 OC[C@@H]1CCN1c2ccncn2 WXVL_AN3414LP3358 [0,1,0,1,0,0|2,0,0]=4 805 B13R2.56 OC[C@@H]1CCN1c2ccncn2 WXVL_AN3414LP3358 [0,1,0,1,0,0|2,0,0]=4 806 B13R2.56 OC[C@@H]1CCN1c2ncccn2 WXVL_AN3414LP0002 [0,1,0,1,0,0|2,0,0]=4 807 B13R2.56 OC[C@@H]1CCN1c2ncccn2 WXVL_AN3414LP0002 [0,1,0,1,0,0|2,0,0]=4 808 B13R2.56 OC[C@H]1CCN1c2ccncn2 WXVL_AN00694LP3358 [0,1,0,1,0,0|2,0,0]=4 809 B13R2.56 OC[C@H]1CCN1c2ncccn2 WXVL_AN00694LP0002 [0,1,0,1,0,0|2,0,0]=4 810 B13R2.2382 c1cc(ncn1)NCCC2CC2 WXVL_AK00594LP3358 [0,1,0,1,0,0|1,0,0]=3 811 B13R2.2382 c1cc(ncn1)NCCC2CC2 WXVL_AK00594LP3358 [0,1,0,1,0,0|1,0,0]=3 812 B13R2.2382 c1cnc(nc1)NCCC2CC2 WXVL_AK00594LP0002 [0,1,0,1,0,0|1,0,0]=3 813 B13R2.2382 c1cnc(nc1)NCCC2CC2 WXVL_AK00594LP0002 [0,1,0,1,0,0|1,0,0]=3 814 B13R2.2383 c1cc(ncn1)NCC2CCC2 WXVL_AK00492LP3358 [0,1,0,1,0,0|1,0,0]=3 815 B13R2.2383 c1cc(ncn1)NCC2CCC2 WXVL_AK00492LP3358 [0,1,0,1,0,0|1,0,0]=3 816 B13R2.2383 c1cc(ncn1)NCC2CCO2 WXVL_AK1433LP3358 [0,1,0,1,0,0|2,0,0]=4 817 B13R2.2383 c1cc(ncn1)NCC2CCO2 WXVL_AK1433LP3358 [0,1,0,1,0,0|2,0,0]=4 818 B13R2.2383 c1cc(ncn1)NCC2COC2 WXVL_AK0186LP3358 [0,1,0,1,0,0|2,0,0]=4 819 B13R2.2383 c1cc(ncn1)NCC2COC2 WXVL_AK0186LP3358 [0,1,0,1,0,0|2,0,0]=4 820 B13R2.2383 c1cnc(nc1)NCC2CCC2 WXVL_AK00492LP0002 [0,1,0,1,0,0|1,0,0]=3 821 B13R2.2383 c1cnc(nc1)NCC2CCC2 WXVL_AK00492LP0002 [0,1,0,1,0,0|1,0,0]=3 822 B13R2.2383 c1cnc(nc1)NCC2CCO2 WXVL_AK1433LP0002 [0,1,0,1,0,0|2,0,0]=4 823 B13R2.2383 c1cnc(nc1)NCC2CCO2 WXVL_AK1433LP0002 [0,1,0,1,0,0|2,0,0]=4 824 B13R2.2383 c1cnc(nc1)NCC2COC2 WXVL_AK0186LP0002 [0,1,0,1,0,0|2,0,0]=4 825 B13R2.2383 c1cnc(nc1)NCC2COC2 WXVL_AK0186LP0002 [0,1,0,1,0,0|2,0,0]=4 826 B13R2.10 BrC1CCN(C1)c2ccncn2 WXVL_AN00715LP3358 [0,1,0,1,0,0|2,0,0]=4 827 B13R2.10 BrC1CCN(C1)c2ncccn2 WXVL_AN00715LP0002 [0,1,0,1,0,0|2,0,0]=4 828 B13R2.10 CC1CCN(C1)c2ccncn2 WXVL_AN0556LP3358 [0,1,0,1,0,0|2,0,0]=4 829 B13R2.10 CC1CCN(C1)c2ccncn2 WXVL_AN0556LP3358 [0,1,0,1,0,0|2,0,0]=4 830 B13R2.10 CC1CCN(C1)c2ncccn2 WXVL_AN0556LP0002 [0,1,0,1,0,0|2,0,0]=4 831 B13R2.10 CC1CCN(C1)c2ncccn2 WXVL_AN0556LP0002 [0,1,0,1,0,0|2,0,0]=4 832 B13R2.10 C[C@@H]1CCN(C1)c2ccncn2 WXVL_AN00488LP3358 [0,1,0,1,0,0|2,0,0]=4 833 B13R2.10 C[C@@H]1CCN(C1)c2ccncn2 WXVL_AN00488LP3358 [0,1,0,1,0,0|2,0,0]=4 834 B13R2.10 C[C@@H]1CCN(C1)c2ncccn2 WXVL_AN00488LP0002 [0,1,0,1,0,0|2,0,0]=4 835 B13R2.10 C[C@@H]1CCN(C1)c2ncccn2 WXVL_AN00488LP0002 [0,1,0,1,0,0|2,0,0]=4 836 B13R2.10 C[C@H]1CCN(C1)c2ccncn2 WXVL_AN00094LP3358 [0,1,0,1,0,0|2,0,0]=4 837 B13R2.10 C[C@H]1CCN(C1)c2ccncn2 WXVL_AN00094LP3358 [0,1,0,1,0,0|2,0,0]=4 838 B13R2.10 C[C@H]1CCN(C1)c2ncccn2 WXVL_AN00094LP0002 [0,1,0,1,0,0|2,0,0]=4 839 B13R2.10 C[C@H]1CCN(C1)c2ncccn2 WXVL_AN00094LP0002 [0,1,0,1,0,0|2,0,0]=4 840 B13R2.10 FC1CCN(C1)c2ccncn2 WXVL_AN00338LP3358 [0,1,0,1,0,0|2,0,0]=4 841 B13R2.10 FC1CCN(C1)c2ccncn2 WXVL_AN00338LP3358 [0,1,0,1,0,0|2,0,0]=4 842 B13R2.10 FC1CCN(C1)c2ncccn2 WXVL_AN00338LP0002 [0,1,0,1,0,0|2,0,0]=4 843 B13R2.10 FC1CCN(C1)c2ncccn2 WXVL_AN00338LP0002 [0,1,0,1,0,0|2,0,0]=4 844 B13R2.10 F[C@@H]1CCN(C1)c2ccncn2 WXVL_AN00035LP3358 [0,1,0,1,0,0|2,0,0]=4 845 B13R2.10 F[C@@H]1CCN(C1)c2ccncn2 WXVL_AN00035LP3358 [0,1,0,1,0,0|2,0,0]=4 846 B13R2.10 F[C@@H]1CCN(C1)c2ncccn2 WXVL_AN00035LP0002 [0,1,0,1,0,0|2,0,0]=4 847 B13R2.10 F[C@@H]1CCN(C1)c2ncccn2 WXVL_AN00035LP0002 [0,1,0,1,0,0|2,0,0]=4 848 B13R2.10 OC1CCN(C1)c2ccncn2 WXVL_AN0158LP3358 [0,1,0,1,0,0|2,0,0]=4 849 B13R2.10 OC1CCN(C1)c2ccncn2 WXVL_AN0158LP3358 [0,1,0,1,0,0|2,0,0]=4 850 B13R2.10 OC1CCN(C1)c2ncccn2 WXVL_AN0158LP0002 [0,1,0,1,0,0|2,0,0]=4 851 B13R2.10 OC1CCN(C1)c2ncccn2 WXVL_AN0158LP0002 [0,1,0,1,0,0|2,0,0]=4 852 B13R2.10 O[C@@H]1CCN(C1)c2ccncn2 WXVL_AN00543LP3358 [0,1,0,1,0,0|2,0,0]=4 853 B13R2.10 O[C@@H]1CCN(C1)c2ncccn2 WXVL_AN00543LP0002 [0,1,0,1,0,0|2,0,0]=4 854 B13R2.10 O[C@H]1CCN(C1)c2ccncn2 WXVL_AN00391LP3358 [0,1,0,1,0,0|2,0,0]=4 855 B13R2.10 O[C@H]1CCN(C1)c2ccncn2 WXVL_AN00391LP3358 [0,1,0,1,0,0|2,0,0]=4 856 B13R2.10 O[C@H]1CCN(C1)c2ncccn2 WXVL_AN00391LP0002 [0,1,0,1,0,0|2,0,0]=4 857 B13R2.10 O[C@H]1CCN(C1)c2ncccn2 WXVL_AN00391LP0002 [0,1,0,1,0,0|2,0,0]=4 858 B13R2.3203 CC1(CC1)CNc2ccncn2 WXVL_AK00811LP3358 [0,1,0,1,0,0|2,0,0]=4 859 B13R2.3203 CC1(CC1)CNc2ccncn2 WXVL_AK00811LP3358 [0,1,0,1,0,0|2,0,0]=4 860 B13R2.3203 CC1(CC1)CNc2ncccn2 WXVL_AK00811LP0002 [0,1,0,1,0,0|2,0,0]=4 861 B13R2.3203 CC1(CC1)CNc2ncccn2 WXVL_AK00811LP0002 [0,1,0,1,0,0|2,0,0]=4 862 B13R2.3203 OC1(CC1)CNc2ccncn2 WXVL_AK0301LP3358 [0,1,0,1,0,0|2,0,0]=4 863 B13R2.3203 OC1(CC1)CNc2ccncn2 WXVL_AK0301LP3358 [0,1,0,1,0,0|2,0,0]=4 864 B13R2.3203 OC1(CC1)CNc2ncccn2 WXVL_AK0301LP0002 [0,1,0,1,0,0|2,0,0]=4 865 B13R2.3203 OC1(CC1)CNc2ncccn2 WXVL_AK0301LP0002 [0,1,0,1,0,0|2,0,0]=4 866 B13R2.13 Brc1ccnc(n1)N2CCCC2 WXVL_AN0008LQ3192 [0,1,0,1,0,0|2,0,0]=4 867 B13R2.13 Brc1ccnc(n1)N2CCCC2 WXVL_AN0008LQ3192 [0,1,0,1,0,0|2,0,0]=4 868 B13R2.13 Brc1nccc(n1)N2CCCC2 WXVL_AN0008LQ4646 [0,1,0,1,0,0|2,0,0]=4 869 B13R2.13 Brc1nccc(n1)N2CCCC2 WXVL_AN0008LQ4646 [0,1,0,1,0,0|2,0,0]=4 870 B13R2.13 Cc1cc(ncn1)N2CCCC2 WXVL_AN0008LP0109 [0,1,0,1,0,0|2,0,0]=4 871 B13R2.13 Cc1cc(ncn1)N2CCCC2 WXVL_AN0008LP0109 [0,1,0,1,0,0|2,0,0]=4 872 B13R2.13 Cc1ccnc(n1)N2CCCC2 WXVL_AN0008LP0007 [0,1,0,1,0,0|2,0,0]=4 873 B13R2.13 Cc1ccnc(n1)N2CCCC2 WXVL_AN0008LP0007 [0,1,0,1,0,0|2,0,0]=4 874 B13R2.13 Cc1nccc(n1)N2CCCC2 WXVL_AN0008LP0556 [0,1,0,1,0,0|2,0,0]=4 875 B13R2.13 Cc1nccc(n1)N2CCCC2 WXVL_AN0008LP0556 [0,1,0,1,0,0|2,0,0]=4 876 B13R2.690 O=C(NC1CC1)c2ccccn2 WXVL_AK0001SC0058 [0,1,0,1,0,0|1,0,1]=4 877 B13R2.690 O=C(NC1CC1)c2ccccn2 WXVL_AK0001SC0058 [0,1,0,1,0,0|1,0,1]=4 878 B13R2.31 CC1CC(C1)Nc2ccncn2 WXVL_AK0309LP3358 [0,1,0,1,0,0|2,0,0]=4 879 B13R2.31 CC1CC(C1)Nc2ccncn2 WXVL_AK0309LP3358 [0,1,0,1,0,0|2,0,0]=4 880 B13R2.31 CC1CC(C1)Nc2ncccn2 WXVL_AK0309LP0002 [0,1,0,1,0,0|2,0,0]=4 881 B13R2.31 CC1CC(C1)Nc2ncccn2 WXVL_AK0309LP0002 [0,1,0,1,0,0|2,0,0]=4 882 B13R2.31 FC1CC(C1)Nc2ccncn2 WXVL_AK0307LP3358 [0,1,0,1,0,0|2,0,0]=4 883 B13R2.31 FC1CC(C1)Nc2ccncn2 WXVL_AK0307LP3358 [0,1,0,1,0,0|2,0,0]=4 884 B13R2.31 FC1CC(C1)Nc2ncccn2 WXVL_AK0307LP0002 [0,1,0,1,0,0|2,0,0]=4 885 B13R2.31 FC1CC(C1)Nc2ncccn2 WXVL_AK0307LP0002 [0,1,0,1,0,0|2,0,0]=4 886 B13R2.31 OC1CC(C1)Nc2ccncn2 WXVL_AK0306LP3358 [0,1,0,1,0,0|2,0,0]=4 887 B13R2.31 OC1CC(C1)Nc2ccncn2 WXVL_AK0306LP3358 [0,1,0,1,0,0|2,0,0]=4 888 B13R2.31 OC1CC(C1)Nc2ncccn2 WXVL_AK0306LP0002 [0,1,0,1,0,0|2,0,0]=4 889 B13R2.31 OC1CC(C1)Nc2ncccn2 WXVL_AK0306LP0002 [0,1,0,1,0,0|2,0,0]=4 890 B13R2.31 O[C@H]1C[C@H](C1)Nc2ccncn2 WXVL_AK1397LP3358 [0,1,0,1,0,0|2,0,0]=4 891 B13R2.31 O[C@H]1C[C@H](C1)Nc2ccncn2 WXVL_AK1397LP3358 [0,1,0,1,0,0|2,0,0]=4 892 B13R2.31 O[C@H]1C[C@H](C1)Nc2ncccn2 WXVL_AK1397LP0002 [0,1,0,1,0,0|2,0,0]=4 893 B13R2.31 O[C@H]1C[C@H](C1)Nc2ncccn2 WXVL_AK1397LP0002 [0,1,0,1,0,0|2,0,0]=4 894 B13R2.444 CC(Nc1ccncn1)C2CC2 WXVL_AK00200LP3358 [0,1,0,1,0,0|2,0,0]=4 895 B13R2.444 CC(Nc1ccncn1)C2CC2 WXVL_AK00200LP3358 [0,1,0,1,0,0|2,0,0]=4 896 B13R2.444 CC(Nc1ncccn1)C2CC2 WXVL_AK00200LP0002 [0,1,0,1,0,0|2,0,0]=4 897 B13R2.444 CC(Nc1ncccn1)C2CC2 WXVL_AK00200LP0002 [0,1,0,1,0,0|2,0,0]=4 898 B13R2.444 C[C@H](Nc1ccncn1)C2CC2 WXVL_AK0484LP3358 [0,1,0,1,0,0|2,0,0]=4 899 B13R2.444 C[C@H](Nc1ccncn1)C2CC2 WXVL_AK0484LP3358 [0,1,0,1,0,0|2,0,0]=4 900 B13R2.444 C[C@H](Nc1ncccn1)C2CC2 WXVL_AK0484LP0002 [0,1,0,1,0,0|2,0,0]=4 901 B13R2.444 C[C@H](Nc1ncccn1)C2CC2 WXVL_AK0484LP0002 [0,1,0,1,0,0|2,0,0]=4 902 B13R2.444 O=C(Nc1ccccn1)C2CC2 WXVL_AF00298SB0038 [0,1,0,1,0,0|1,0,1]=4 903 B13R2.444 O=C(Nc1ccccn1)C2CC2 WXVL_AF00298SB0038 [0,1,0,1,0,0|1,0,1]=4 904 B13R2.18 Brc1cncnc1N2CCCC2 WXVL_AN0008LQ2111 [0,1,0,1,0,0|2,0,0]=4 905 B13R2.18 Brc1cncnc1N2CCCC2 WXVL_AN0008LQ2111 [0,1,0,1,0,0|2,0,0]=4 906 B13R2.18 Cc1cncnc1N2CCCC2 WXVL_AN0008LP0053 [0,1,0,1,0,0|2,0,0]=4 907 B13R2.18 Cc1cncnc1N2CCCC2 WXVL_AN0008LP0053 [0,1,0,1,0,0|2,0,0]=4 908 B13R2.18 Fc1cncnc1N2CCCC2 WXVL_AN0008LP0435 [0,1,0,1,0,0|2,0,0]=4 909 B13R2.18 Fc1cncnc1N2CCCC2 WXVL_AN0008LP0435 [0,1,0,1,0,0|2,0,0]=4 910 B13R2.18 Ic1cncnc1N2CCCC2 WXVL_AN0008LP3348 [0,1,0,1,0,0|2,0,0]=4 911 B13R2.18 Ic1cncnc1N2CCCC2 WXVL_AN0008LP3348 [0,1,0,1,0,0|2,0,0]=4